SCHEMBL21870545

SCHEMBL21870545

CSc1ncccc1C(=O)Nc1ccccc1C

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
NPC1 O15118 1/20 0.61
LMNA P02545 3/20 0.59
MEN1 O00255 2/20 0.59
HSD17B10 Q99714 2/20 0.56
MAPT P10636 2/20 0.56
HPGD P15428 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.53
RAB9A P51151 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL24338016 0.80 MAPT (0.59) KMT2ANPC1LMNAMEN1HSD17B10
SCHEMBL4488799 0.80 HSD17B10 (0.59) KMT2ANPC1LMNAMEN1HSD17B10
SCHEMBL9314355 0.77 KMT2A (0.66) KMT2ANPC1LMNAMEN1HPGD
SCHEMBL30114717 0.77 HSD17B10 (0.59) KMT2ANPC1LMNAMEN1HSD17B10
SCHEMBL21938140 0.77 KMT2A (0.73) KMT2ANPC1LMNAMEN1MAPT
SCHEMBL3690385 0.77 HPGD (0.77) NPC1LMNAHSD17B10MAPTHPGD
SCHEMBL31339222 0.76 KMT2A (0.64) KMT2ANPC1LMNAMEN1HPGD
SCHEMBL9314349 0.76 KMT2A (0.64) KMT2ANPC1LMNAMEN1HPGD
SCHEMBL28438962 0.76 HPGD (0.57) KMT2ANPC1LMNAMEN1HSD17B10
SCHEMBL6834014 0.75 KMT2A (0.55) KMT2ANPC1LMNAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3628374-B1 BCL-3 INHIBITORS UNIV COLLEGE CARDIFF CONSULTANTS LTD (GB) 2023-08-30 EP disclosed
EP-3628374-A2 BCL-3 INHIBITORS University College Cardiff Consultants Limited (GB) 2020-04-01 EP disclosed