SCHEMBL21394936

SCHEMBL21394936

CN1N=C(C(=O)Nc2ccc(OCc3cccc(Cl)c3)cn2)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOB P27338 11/20 0.43
MAOA P21397 6/20 0.43
RAB9A P51151 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
ALOX5 P09917 1/20 0.41
ALKBH1 Q13686 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
GID4 Q8IVV7 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
SCHEMBL29357271 1.00 MEN1 (0.46) MEN1KMT2AMAOBMAOARAB9A
SCHEMBL22479584 0.89 MEN1 (0.48) MEN1KMT2AMAOBMAOARAB9A
SCHEMBL21394773 0.86 RAB9A (0.44) MEN1KMT2ARAB9A
SCHEMBL29358553 0.86 ABL1 (0.46) MEN1KMT2ARAB9A
SCHEMBL29354631 0.86 RAB9A (0.44) MEN1KMT2ARAB9A
SCHEMBL21394502 0.86 ABL1 (0.46) MEN1KMT2ARAB9A
SCHEMBL22479586 0.82 RAB9A (0.41) MEN1KMT2AMAOBMAOARAB9A
SCHEMBL21394447 0.81 RAB9A (0.44) MEN1KMT2ARAB9A
SCHEMBL21394436 0.81 RAB9A (0.43) MEN1KMT2AMAOBRAB9ARXRA
SCHEMBL21395190 0.81 RAB9A (0.43) MEN1KMT2AMAOBMAOARAB9A

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