SCHEMBL29355445

SCHEMBL29355445

CN1N=C(C(=O)Nc2ccc(Cc3cc(F)cc(F)c3)cn2)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
NPY5R Q15761 3/20 0.37
AHR P35869 1/20 0.37
PARP1 P09874 2/20 0.37
GPR52 Q9Y2T5 1/20 0.36
ABCB1 P08183 2/20 0.36
GRM5 P41594 2/20 0.36
CSF1R P07333 1/20 0.35
ABCC1 P33527 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
GCK P35557 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL21395043 1.00 RAB9A (0.47) RAB9ANPY5RAHRPARP1GPR52
SCHEMBL29353757 0.93 RAB9A (0.43) RAB9AGPR52GRM5ALDH1A1
SCHEMBL21394829 0.93 RAB9A (0.43) RAB9AGPR52GRM5ALDH1A1
SCHEMBL21394770 0.92 RAB9A (0.46) RAB9AAHRPARP1GRM5ALDH1A1
SCHEMBL29353935 0.92 RAB9A (0.46) RAB9AAHRPARP1GRM5ALDH1A1
SCHEMBL21394664 0.91 RAB9A (0.44) RAB9AAHRPARP1GRM5CSF1R
SCHEMBL29358581 0.91 RAB9A (0.44) RAB9AAHRPARP1ALDH1A1MAPT
SCHEMBL21394559 0.91 RAB9A (0.44) RAB9AAHRPARP1ALDH1A1MAPT
SCHEMBL21384478 0.91 RAB9A (0.46) RAB9AAHRPARP1GPR52CSF1R
SCHEMBL29356974 0.91 RAB9A (0.46) RAB9AAHRPARP1GPR52CSF1R

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