SCHEMBL3897238

SCHEMBL3897238

O=C(O)CCc1ccccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.55
NFE2L2 Q16236 2/20 0.55
BCL2 P10415 1/20 0.55
BCL2L1 Q07817 1/20 0.55
MCL1 Q07820 1/20 0.55
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SLC16A3 O15427 2/20 0.51
SQSTM1 Q13501 1/20 0.51
ALDH1A1 P00352 4/20 0.49
TSHR P16473 2/20 0.49
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
HK1 P19367 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.48
TBXA2R P21731 1/20 0.48

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
SCHEMBL7425678 0.90 ALDH1A1 (0.55) KEAP1NFE2L2BCL2BCL2L1MCL1
SCHEMBL4774366 0.88 PRMT1 (0.50) KEAP1NFE2L2BCL2BCL2L1MCL1
SCHEMBL4983596 0.87 HDAC1 (0.63) BCL2BCL2L1MCL1SLC16A3TSHR
SCHEMBL21647679 0.85 LTB4R (0.51) KEAP1NFE2L2BCL2BCL2L1MCL1
SCHEMBL5205026 0.84 ALDH1A1 (0.58) KEAP1NFE2L2SQSTM1ALDH1A1TSHR
SCHEMBL21647689 0.83 TDP1 (0.47) KEAP1NFE2L2BCL2BCL2L1MCL1
SCHEMBL3554985 0.83 TDP1 (0.53) KEAP1NFE2L2BCL2BCL2L1MCL1
SCHEMBL3556581 0.82 SLC16A3 (0.58) MCL1RAB9ASLC16A3ALDH1A1TSHR
SCHEMBL21647713 0.81 FFAR1 (0.60) KEAP1NFE2L2MCL1NPC1RAB9A
SCHEMBL7376447 0.81 MAPT (0.47) BCL2BCL2L1MCL1SLC16A3ALDH1A1

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-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed