SCHEMBL11796151

SCHEMBL11796151

CC(=O)Nc1c(N)cccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.52
KDM4E B2RXH2 6/20 0.49
HSD17B10 Q99714 5/20 0.49
NPC1 O15118 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
HDAC1 Q13547 2/20 0.47
ALDH1A1 P00352 4/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
CDC25B P30305 1/20 0.44
POLB P06746 2/20 0.44
G6PD P11413 1/20 0.43
CASP7 P55210 1/20 0.43
CASP6 P55212 1/20 0.43
NAPRT Q6XQN6 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
Hydrochloric Acid SCHEMBL9056132 0.98 MMP2 (0.50) MMP2KDM4EHSD17B10NPC1CASP3
SCHEMBL7828458 0.87 HSD17B10 (0.50) KDM4EHSD17B10ALDH1A1HPGDPOLB
SCHEMBL29175381 0.86 SIRT2 (0.47) MMP2KDM4EHSD17B10NPC1CASP3
SCHEMBL306292 0.81 MMP2 (0.55) MMP2KDM4EHSD17B10NPC1CASP3
Hydrochloric Acid SCHEMBL7425514 0.80 MMP2 (0.53) MMP2KDM4EHSD17B10NPC1CASP3
SCHEMBL25258585 0.80 PTPN11 (0.55) KDM4EHSD17B10ALDH1A1HPGDCDC25B
SCHEMBL950942 0.80 POLB (0.62) KDM4EHSD17B10ALDH1A1HPGDPOLB
SCHEMBL3655894 0.80 POLB (0.56) KDM4EHSD17B10NPC1CASP3RAB9A
SCHEMBL31046806 0.80 PTPN11 (0.55) KDM4EHSD17B10ALDH1A1HPGDCDC25B
SCHEMBL2113108 0.79 ALDH1A1 (0.57) KDM4EHSD17B10ALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3989692-A PHTHALOCYANINE DYES, WOOL, SILK, POLYAMIDES, CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 US disclosed