SCHEMBL21568083

SCHEMBL21568083

Cc1cc(NC(=O)Nc2nc3ccc(Cl)cc3s2)ccc1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.56
▸ RECQL P46063 1/20 0.56
▸ DYRK1A Q13627 1/20 0.56
▸ FSCN1 Q16658 1/20 0.56
▸ BLM P54132 1/20 0.54
▸ HSD17B10 Q99714 8/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ CASP3 P42574 4/20 0.53
▸ SENP7 Q9BQF6 4/20 0.53
▸ SENP8 Q96LD8 3/20 0.53
▸ SENP6 Q9GZR1 3/20 0.53
▸ HPGD P15428 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL21568161 0.93 KDM4E (0.57) KDM4ERECQLDYRK1AFSCN1HSD17B10
SCHEMBL21569108 0.90 KDM4E (0.56) KDM4ERECQLDYRK1AFSCN1HSD17B10
SCHEMBL21568084 0.89 HSD17B10 (0.60) KDM4ERECQLDYRK1AFSCN1BLM
SCHEMBL21568179 0.88 KDM4E (0.53) KDM4ERECQLDYRK1AFSCN1HSD17B10
SCHEMBL21568063 0.87 HSD17B10 (0.57) KDM4ERECQLDYRK1AFSCN1BLM
SCHEMBL21568250 0.86 BLM (0.55) KDM4ERECQLDYRK1AFSCN1BLM
SCHEMBL21568967 0.85 BLM (0.54) KDM4ERECQLDYRK1AFSCN1BLM
SCHEMBL21568078 0.85 HSD17B10 (0.57) KDM4ERECQLDYRK1AFSCN1BLM
SCHEMBL21568257 0.84 KDM4E (0.61) KDM4ERECQLDYRK1AFSCN1HSD17B10
SCHEMBL21568318 0.82 DYRK1A (0.57) KDM4EDYRK1AHSD17B10MEN1KMT2A

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
WO-2019217509-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HB THERAPEUTICS INC. (US) 2019-11-14 — — WO disclosed
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