SCHEMBL21394476

SCHEMBL21394476

Cn1cc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)cc(F)c1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
F10 P00742 8/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
IDO1 P14902 1/20 0.40
SNCA P37840 1/20 0.39
LMNA P02545 1/20 0.39
KLKB1 P03952 3/20 0.38
TDP1 Q9NUW8 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
SCHEMBL29356642 1.00 ALDH1A1 (0.46) ALDH1A1RAB9ASMN1; SMN2NPC1PKM
SCHEMBL21394615 0.90 NPC1 (0.45) ALDH1A1RAB9ASMN1; SMN2NPC1PKM
SCHEMBL21394825 0.85 ALDH1A1 (0.48) ALDH1A1RAB9ASMN1; SMN2NPC1PKM
SCHEMBL21395017 0.85 ALDH1A1 (0.48) ALDH1A1RAB9ASMN1; SMN2NPC1PKM
SCHEMBL29356860 0.85 ALDH1A1 (0.48) ALDH1A1RAB9ASMN1; SMN2NPC1PKM
SCHEMBL21394646 0.82 RAB9A (0.44) ALDH1A1RAB9ASMN1; SMN2NPC1PKM
SCHEMBL21395153 0.82 BRD4 (0.41) ALDH1A1RAB9ASMN1; SMN2NPC1PKM
SCHEMBL21394827 0.81 ALDH1A1 (0.50) ALDH1A1F10MEN1KMT2A
SCHEMBL29442864 0.81 ALDH1A1 (0.50) ALDH1A1F10MEN1KMT2A
SCHEMBL21394874 0.81 ALDH1A1 (0.44) ALDH1A1RAB9ASMN1; SMN2NPC1TSHR

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 9 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
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP 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-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