SCHEMBL21394784

SCHEMBL21394784

Cn1cc(C(=O)Nc2ccc(Cc3cc(F)cc(F)c3)cn2)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CREBBP Q92793 1/20 0.42
DEGS1 O15121 1/20 0.42
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
RARG P13631 1/20 0.40
NTRK1 P04629 2/20 0.40
AURKA O14965 1/20 0.39
INSR P06213 1/20 0.39
IGF1R P08069 1/20 0.39
AURKB Q96GD4 1/20 0.39
ALK Q9UM73 1/20 0.39
F10 P00742 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CXCR2 P25025 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL29356925 1.00 GCK (0.44) GCKKDM4ECREBBPDEGS1ABCB1
SCHEMBL29353782 0.91 KDM4E (0.51) GCKKDM4ECREBBPDEGS1RXFP1
SCHEMBL21394550 0.91 KDM4E (0.51) GCKKDM4ECREBBPDEGS1RXFP1
SCHEMBL21394831 0.91 MEN1 (0.43) GCKKDM4EDEGS1ABCB1ABCC1
SCHEMBL29353773 0.91 MEN1 (0.43) GCKKDM4EDEGS1ABCB1ABCC1
SCHEMBL21394601 0.91 NPC1 (0.46) GCKKDM4ECREBBPDEGS1NTRK1
SCHEMBL29356936 0.91 NPC1 (0.46) GCKKDM4ECREBBPDEGS1NTRK1
SCHEMBL21394976 0.91 KDM4E (0.41) GCKKDM4ECREBBPDEGS1RXFP1
SCHEMBL21384385 0.91 CREBBP (0.42) GCKKDM4ECREBBPDEGS1RXFP1
SCHEMBL29358634 0.91 CREBBP (0.42) GCKKDM4ECREBBPDEGS1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed