SCHEMBL9237997

SCHEMBL9237997

CC(=O)Nc1ccccc1-c1cc(C)ccc1C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 2/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 1/20 0.51
KDM4E B2RXH2 1/20 0.51
PARP14 Q460N5 7/20 0.50
MAOA P21397 1/20 0.50
S1PR4 O95977 1/20 0.49
AHR P35869 1/20 0.48
LMNA P02545 3/20 0.47
TSHR P16473 2/20 0.47
RAB9A P51151 2/20 0.47
CASP3 P42574 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL5106474 0.89 S1PR4 (0.50) KMT2AALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL5623725 0.84 ALDH1A1 (0.71) KMT2AALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL6326388 0.82 ALDH1A1 (0.65) ALDH1A1HPGDSMN1; SMN2KDM4EPARP14
SCHEMBL18131322 0.81 TDP1 (0.52) KMT2AALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL11187279 0.79 HDAC7 (0.54) KMT2AALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL20893272 0.78 ALDH1A1 (0.53) KMT2AALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL5213661 0.78 ALDH1A1 (0.56) KMT2AALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL9233959 0.78 ELANE (0.42) KMT2AALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL90967 0.77 ALDH1A1 (0.59) KMT2AALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL9762630 0.75 ALDH1A1 (0.57) KMT2AALDH1A1HPGDSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5453495-A Disazo compounds containing an optionally substituted piperazinyl group ZENECA LIMITED (GB) 1995-09-26 US disclosed
WO-1995017471-A1 DISAZO COMPOUND ZENECA LIMITED (GB) 1995-06-29 WO disclosed
WO-1995017472-A1 DISAZO COMPOUND ZENECA LIMITED (GB) 1995-06-29 WO disclosed