SCHEMBL11207466

SCHEMBL11207466

BrC1=NN(Br)NC(c2ccccc2)=C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL17396463 0.81 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2LMNAKDM4ENPC1
SCHEMBL22685703 0.79 KDM4E (0.35) ALDH1A1MAPK1SMN1; SMN2LMNAKDM4E
SCHEMBL4605861 0.63 LMNA (0.41) ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL11230252 0.63 LMNA (0.31) SMN1; SMN2LMNA
SCHEMBL7259734 0.63 LMNA (0.41) ALDH1A1MAPK1SMN1; SMN2LMNAKDM4E
SCHEMBL2117781 0.63 CYP1A2 (0.31) ALDH1A1SMN1; SMN2LMNA
SCHEMBL2145680 0.63 KMT2A (0.35) ALDH1A1MAPK1SMN1; SMN2LMNAKDM4E
SCHEMBL1389781 0.63 LMNA (0.41) SMN1; SMN2LMNA
SCHEMBL2250599 0.62 KMT2A (0.34) ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL21767983 0.61 KDM4E (0.35) ALDH1A1MAPK1SMN1; SMN2LMNAKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0036522-B1 WATER-SOLUBLE NICKEL-CONTAINING AZOPHTHALOCYANINE DYESTUFFS AND THEIR USE BASF Aktiengesellschaft (DE) 1983-11-16 — — EP disclosed
EP-0036522-A2 Water-soluble nickel-containing azophthalocyanine dyestuffs and their use BASF Aktiengesellschaft (DE) 1981-09-30 — — EP disclosed
Send feedback