SCHEMBL7679084

SCHEMBL7679084

CC(C)=CC(=O)Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.67
NPC1 O15118 6/20 0.67
RAB9A P51151 6/20 0.67
TSHR P16473 2/20 0.67
GAA P10253 2/20 0.67
NFKB1 P19838 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
HTT P42858 1/20 0.67
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
CASP3 P42574 1/20 0.62
SENP8 Q96LD8 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
SENP6 Q9GZR1 1/20 0.62
GPR55 Q9Y2T6 1/20 0.62
NAPRT Q6XQN6 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TGM2 P21980 1/20 0.59
DEGS1 O15121 1/20 0.57

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
SCHEMBL396577 1.00 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ATSHRGAA
SCHEMBL19501840 0.93 NPC1 (0.65) SMN1; SMN2NPC1RAB9ATSHRGAA
SCHEMBL19501552 0.88 KMT2A (0.67) SMN1; SMN2NPC1RAB9ATSHRGAA
SCHEMBL11530335 0.86 PTGS2 (0.63) SMN1; SMN2NPC1RAB9ATSHRGAA
SCHEMBL11530331 0.86 PTGS2 (0.63) SMN1; SMN2NPC1RAB9ATSHRGAA
SCHEMBL26089639 0.85 MEN1 (0.63) SMN1; SMN2NPC1RAB9ATSHRGAA
SCHEMBL19501549 0.84 KMT2A (0.55) SMN1; SMN2NPC1RAB9ATSHRGAA
SCHEMBL28778290 0.84 MAPT (0.68) SMN1; SMN2NPC1RAB9ATSHRGAA
SCHEMBL28379610 0.84 MAPT (0.68) SMN1; SMN2NPC1RAB9ATSHRGAA
SCHEMBL8263524 0.84 NAPRT (0.55) SMN1; SMN2NPC1RAB9ATSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350746-B1 FACTOR XA ENZYME INHIBITORS BERLEX LABORATORIES, INC. 2002-02-26 US disclosed
US-6034103-A THROMBOSIS THERAPY BERLEX LABORATORIES, INC. (US) 2000-03-07 US disclosed
US-5889005-A Benzamidine derivatives and their use for treating thrombotic diseases BERLEX LABORATORIES, INC. (US) 1999-03-30 US disclosed
US-5883100-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1999-03-16 US disclosed
US-5877181-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1999-03-02 US disclosed
US-5691364-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1997-11-25 US disclosed