SCHEMBL29354520

SCHEMBL29354520

Cn1cc(C(=O)Nc2ccc(Oc3cccc(Cl)c3)cn2)ccc1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
CASP3 P42574 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
GCK P35557 1/20 0.52
GRM5 P41594 5/20 0.48
ALDH1A1 P00352 1/20 0.48
CREBBP Q92793 1/20 0.45
P2RX3 P56373 2/20 0.45
ABL1 P00519 1/20 0.45

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
SCHEMBL21394759 1.00 MEN1 (0.53) MEN1NPC1CASP3RAB9AKMT2A
SCHEMBL29357004 0.88 GCK (0.53) MEN1NPC1CASP3RAB9AKMT2A
SCHEMBL21394785 0.88 GCK (0.53) MEN1NPC1CASP3RAB9AKMT2A
SCHEMBL21394862 0.88 GCK (0.52) MEN1NPC1CASP3RAB9AKMT2A
SCHEMBL29357283 0.88 GCK (0.52) MEN1NPC1CASP3RAB9AKMT2A
SCHEMBL29356894 0.87 NPC1 (0.50) MEN1NPC1CASP3RAB9AKMT2A
SCHEMBL21394910 0.87 NPC1 (0.50) MEN1NPC1CASP3RAB9AKMT2A
SCHEMBL21394840 0.87 RAB9A (0.47) MEN1NPC1CASP3RAB9AKMT2A
SCHEMBL29355464 0.87 RAB9A (0.47) MEN1NPC1CASP3RAB9AKMT2A
SCHEMBL21395074 0.86 CYP3A4 (0.53) MEN1NPC1CASP3RAB9AKMT2A

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 5 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