SCHEMBL8539871

SCHEMBL8539871

C=C(C)C(=O)OCCNC(=O)Nc1ccc(-c2ccc(NC(=O)NCCOC(=O)C(=C)C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
ABCB1 P08183 12/20 0.43
ABCC1 P33527 11/20 0.43
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNMA1 Q12791 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL8537202 0.81 AAK1 (0.41) ABCB1ABCC1LMNAPOLBMAPT
SCHEMBL21597965 0.80 MYC (0.49) KMT2ANPC1RAB9APOLBMAPT
SCHEMBL8541147 0.78 HDAC1 (0.45)
SCHEMBL2183066 0.76 MAPT (0.58) KMT2ANPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL3251760 0.76 HDAC1 (0.54)
SCHEMBL10093576 0.73 RXFP1 (0.46) KMT2AMAPK1ALDH1A1POLBMAPT
SCHEMBL3253121 0.72 ITGB3 (0.57) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3252701 0.72 MARS1 (0.44) KMT2ANPC1MAPK1RAB9AALDH1A1
SCHEMBL3251714 0.72 GOT1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL10093529 0.72 EPHX1 (0.40) KMT2AMAPK1SMN1; SMN2ALDH1A1LMNA

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-5847071-A Photosensitive resin composition HITACHI, CHEMICAL CO., LTD. (JP) 1998-12-08 US disclosed
US-5668248-A POLYAMIC ACID ESTERS HITACHI CHEMICAL CO., LTD. (JP) 1997-09-16 US disclosed
US-5472823-A Polyamic acids HITACHI CHEMICAL CO., LTD. (JP) 1995-12-05 US disclosed