SCHEMBL9713154

SCHEMBL9713154

COc1ccc(C(=O)Nc2cc(C(C)(C)C)no2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
PKM P14618 2/20 0.52
POLB P06746 2/20 0.52
RAF1 P04049 1/20 0.49
BRAF P15056 1/20 0.49
PDE4D Q08499 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 2/20 0.48
MAPK1 P28482 2/20 0.48
MAPK14 Q16539 1/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.48
RPS6KA2 Q15349 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
FLT3 P36888 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL27070118 0.81 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1PKMRAF1
SCHEMBL9712601 0.81 CYP1A2 (0.57) ALDH1A1RAF1BRAFSMN1; SMN2RAB9A
SCHEMBL9713121 0.81 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1RAF1BRAF
SCHEMBL9712944 0.79 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1RAF1BRAF
SCHEMBL9712726 0.78 NPC1 (0.60) ALDH1A1KMT2AMEN1RAF1BRAF
SCHEMBL11915969 0.77 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1PKMRAF1
SCHEMBL15427015 0.77 SMN1; SMN2 (0.69) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK14
SCHEMBL9712788 0.76 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1PKMRAF1
SCHEMBL9712751 0.75 CYP1A2 (0.51) ALDH1A1RAF1BRAFSMN1; SMN2RAB9A
SCHEMBL11732172 0.75 ALDH1A1 (0.67) ALDH1A1RAF1BRAFMAPK14FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
EP-0049071-B1 N-ARYLBENZAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-12-19 EP disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed