SCHEMBL16797477

SCHEMBL16797477

COc1ccc(C=C(N)C(N)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
PARP10 Q53GL7 2/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
PARP1 P09874 1/20 0.52
PARP2 Q9UGN5 1/20 0.52
PARP4 Q9UKK3 1/20 0.52
F3 P13726 2/20 0.52
CYP3A4 P08684 2/20 0.50
CYP2A6 P11509 1/20 0.50
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
APEX1 P27695 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL5950490 0.83 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTHPGDPARP10
SCHEMBL5950494 0.83 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTHPGDPARP10
SCHEMBL14273770 0.79 GSK3B (0.47) ALDH1A1KDM4EMAPTHPGDPARP10
SCHEMBL2478128 0.78 PARP10 (0.57) ALDH1A1PARP10CA1CA2PARP1
SCHEMBL21754346 0.78 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTHPGDCA1
SCHEMBL22259767 0.78 CYP1A2 (0.68) ALDH1A1KDM4EMAPTHPGDCA1
SCHEMBL14564661 0.77 GSK3B (0.43) ALDH1A1KDM4EMAPTHPGDPARP10
SCHEMBL28158898 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTHPGDCYP3A4
SCHEMBL12462506 0.75 APP (0.41) KDM4EMAPTPARP10CA1CA2
SCHEMBL7820839 0.74 THRB (0.56) ALDH1A1KDM4EMAPTHPGDCA1

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
WO-2025090774-A1 CHEMOTHERAPEUTIC COMPOUNDS AND METHODS OF USE SEAGEN INC. (US) 2025-05-01 WO disclosed
EP-3079680-A2 COMPOSITIONS AND METHODS FOR TREATING, PREVENTING AND DIAGNOSING CANCER AND OTHER PROLIFERATIVE DISORDERS Angiogenex, Inc. (US) 2016-10-19 EP disclosed
WO-2015089495-A2 COMPOSITIONS AND METHODS FOR TREATING, PREVENTING AND DIAGNOSING CANCER AND OTHER PROLIFERATIVE DISORDERS ANGIOGENEX, INC. (US) 2015-06-18 WO disclosed