SCHEMBL21394842

SCHEMBL21394842

COc1cc(Cc2ccc(NC(=O)c3ccc(=O)n(C)c3)nc2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
ABCB1 P08183 1/20 0.42
ABCC1 P33527 1/20 0.42
NTRK1 P04629 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
ALKBH1 Q13686 1/20 0.40
SCD O00767 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
SCHEMBL29356712 1.00 SMN1; SMN2 (0.44) SMN1; SMN2NPC1TP53CYP1A2CYP3A4
SCHEMBL29358074 0.93 SMN1; SMN2 (0.44) SMN1; SMN2NPC1TP53CYP1A2CYP3A4
SCHEMBL21395106 0.93 SMN1; SMN2 (0.44) SMN1; SMN2NPC1TP53CYP1A2CYP3A4
SCHEMBL29357606 0.90 MAPT (0.44) SMN1; SMN2TP53RAB9ANTRK1MAPT
SCHEMBL21394480 0.90 MAPT (0.44) SMN1; SMN2TP53RAB9ANTRK1MAPT
SCHEMBL21394761 0.87 MAOB (0.42) SMN1; SMN2NPC1TP53CYP1A2CYP3A4
SCHEMBL29357123 0.87 MAOB (0.42) SMN1; SMN2NPC1TP53CYP1A2CYP3A4
SCHEMBL21384385 0.86 CREBBP (0.42) SMN1; SMN2NPC1TP53RAB9ANTRK1
SCHEMBL29358634 0.86 CREBBP (0.42) SMN1; SMN2NPC1TP53RAB9ANTRK1
SCHEMBL21394706 0.85 WNT1 (0.42) SMN1; SMN2NPC1TP53CYP1A2CYP3A4

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