SCHEMBL21780429

SCHEMBL21780429

COc1ccc(-c2ccc(C(C)(C)F)cc2)cc1C(=O)N1CCN(Cc2ncccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.46
KCNK9 Q9NPC2 4/20 0.46
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 4/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
PKM P14618 1/20 0.42
CFTR P13569 1/20 0.42
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL21780486 0.93 PTGDR2 (0.47) KCNK3KCNK9ALDH1A1KDM4ECYP2C9
SCHEMBL21780432 0.85 TLR9 (0.43) KCNK3KCNK9ALDH1A1KDM4EKMT2A
SCHEMBL21780503 0.83 KCNK3 (0.43) KCNK3KCNK9ALDH1A1HTTLMNA
SCHEMBL21780426 0.81 KMT2A (0.53) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL21780440 0.78 LMNA (0.48) KCNK3KCNK9KDM4EMEN1KMT2A
SCHEMBL21780479 0.77 LMNA (0.47) KCNK3KCNK9ALDH1A1MEN1KMT2A
SCHEMBL21780441 0.76 LMNA (0.47) KCNK3KCNK9MEN1KMT2ALMNA
SCHEMBL21780491 0.76 KDM4E (0.37) KCNK3KCNK9ALDH1A1KDM4EMEN1
SCHEMBL21780420 0.74 KMT2A (0.55) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL21780474 0.73 GPR119 (0.51) MEN1KMT2ALMNACFTRPOLB

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
EP-3085696-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-03-04 EP disclosed