SCHEMBL10583285

SCHEMBL10583285

O=C(Br)Oc1ccc2nccnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
MAPT P10636 7/20 0.49
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 6/20 0.45
RAB9A P51151 6/20 0.45
KMT2A Q03164 6/20 0.45
NPC1 O15118 5/20 0.45
MEN1 O00255 4/20 0.45
POLB P06746 3/20 0.45
TP53 P04637 3/20 0.45
TSHR P16473 1/20 0.45
GAA P10253 2/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 4/20 0.40
STAT1 P42224 1/20 0.39
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4710387 0.83 MAPT (0.54) HTTMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL27501325 0.81 ALDH1A1 (0.51) HTTMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL19924711 0.80 MAPT (0.49) HTTMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL11127544 0.78 ALDH1A1 (0.39) HTTMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL9625857 0.78 ALDH1A1 (0.39) HTTMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL27689432 0.77 MAPT (0.50) HTTMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL9626241 0.76 ALDH1A1 (0.38) MAPTALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL19924712 0.76 MAPT (0.48) HTTMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL27730213 0.76 KMT2A (0.51) HTTMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL622749 0.73 FGFR1 (0.47) HTTMAPTALDH1A1SMN1; SMN2RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321784-A2 Formazane dyes containing heavy metals, process for their preparation and their use in dyeing and printing fibrous materials BAYER AG (DE) 1989-06-28 EP disclosed
EP-0151792-B1 REACTION OF AMINES WITH HETEROCYCLIC REACTIVE COMPOUNDS BAYER AG (DE) 1988-11-30 EP disclosed
EP-0255890-A1 Process for the reaction of amines with heterocyclic reactive compounds BAYER AG (DE) 1988-02-17 EP disclosed
EP-0177978-A2 Naphthol amine derivatives BAYER AG (DE) 1986-04-16 EP disclosed
EP-0151792-A2 Reaction of amines with heterocyclic reactive compounds BAYER AG (DE) 1985-08-21 EP disclosed
EP-0108924-A1 Heavy metal-containing formazane dyestuffs, methods for their preparation and their use in the dyeing and printing of fibre materials BAYER AG (DE) 1984-05-23 EP disclosed
EP-0097289-A2 Azo dyestuffs BAYER AG (DE) 1984-01-04 EP disclosed
EP-0050266-A1 Reactive disazo dyes, process for their preparation and their use in dyeing and printing materials that contain hydroxyl and/or nitrogen BAYER AG (DE) 1982-04-28 EP disclosed
EP-0043411-A2 Reactive disazo dyestuffs, process for their preparation and their use in dyeing and printing materials containing nitrogen and/or hydroxyle groups BAYER AG (DE) 1982-01-13 EP disclosed
EP-0013936-A1 Reactive azo dyestuffs, their preparation and their use in dyeing materials containing hydroxyl groups and amide groups BAYER AG (DE) 1980-08-06 EP disclosed
EP-0001629-A1 Water-soluble, fibre-reactive, green azo-phthalocyanine dyestuffs, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1979-05-02 EP disclosed
EP-0001451-A1 Water-soluble azo-phthalocyanine fibre-reactive dyestuffs, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1979-04-18 EP disclosed