SCHEMBL8577301

SCHEMBL8577301

C=C(C)c1cccc(NC)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL12852717 0.82 TDP1 (0.43) TDP1ALDH1A1MEN1KMT2ATSHR
SCHEMBL14278752 0.82 TDP1 (0.43) TDP1ALDH1A1MEN1KMT2ATSHR
SCHEMBL22775250 0.82 TDP1 (0.47) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29134654 0.80 MEN1 (0.56) TDP1ALDH1A1MEN1KMT2ATSHR
SCHEMBL167439 0.79 FURIN (0.43) TDP1TSHRLMNAMAPTHTT
SCHEMBL30478066 0.79 ALDH1A1 (0.66) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7768635 0.79 ALDH1A1 (0.66) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL24548087 0.79 TDP1 (0.62) TDP1ALDH1A1MEN1KMT2ATSHR
SCHEMBL21337593 0.79 TDP1 (0.45) TDP1ALDH1A1TSHRLMNAMAPT
SCHEMBL19142437 0.79 TDP1 (0.49) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2

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
EP-2726459-B1 SULFAMOYLBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION BARUCH S BLUMBERG INST (US) 2019-09-11 EP disclosed
EP-3357898-A1 METHOD FOR PRODUCING ORGANIC COMPOUND Fujifilm Finechemicals Co., Ltd. (JP) 2018-08-08 EP disclosed
US-5736298-A COMPRISES A PARTICULATE POLYMER OF A CARBOXY-GROUP-CONTAINING-DIENE HAVING A CROSSLINKED STRUCTURE JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-04-07 US disclosed