SCHEMBL21394550

SCHEMBL21394550

Cn1cc(C(=O)Nc2ccc(Cc3ccc(F)cc3)cn2)ccc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.44
DEGS1 O15121 1/20 0.44
GCK P35557 1/20 0.43
F10 P00742 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CXCR2 P25025 2/20 0.42
MAPT P10636 2/20 0.42
CREBBP Q92793 2/20 0.41
WNT1 P04628 1/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
PRKAA2 P54646 1/20 0.41
CXCR1 P25024 1/20 0.41
NTRK1 P04629 1/20 0.41
GRM5 P41594 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL29353782 1.00 KDM4E (0.51) KDM4EALDH1A1DEGS1GCKF10
SCHEMBL21394784 0.91 GCK (0.44) KDM4EALDH1A1DEGS1GCKF10
SCHEMBL29356925 0.91 GCK (0.44) KDM4EALDH1A1DEGS1GCKF10
SCHEMBL21394506 0.90 RAB9A (0.49) ALDH1A1DEGS1F10SMN1; SMN2MAPT
SCHEMBL21394976 0.89 KDM4E (0.41) KDM4EALDH1A1DEGS1GCKF10
SCHEMBL21394601 0.89 NPC1 (0.46) KDM4EALDH1A1DEGS1GCKSMN1; SMN2
SCHEMBL29356936 0.89 NPC1 (0.46) KDM4EALDH1A1DEGS1GCKSMN1; SMN2
SCHEMBL21394505 0.88 DEGS1 (0.53) KDM4EDEGS1F10MAPT
SCHEMBL21394480 0.88 MAPT (0.44) KDM4EDEGS1GCKF10SMN1; SMN2
SCHEMBL21384385 0.88 CREBBP (0.42) KDM4EALDH1A1DEGS1GCKF10

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