SCHEMBL21394770

SCHEMBL21394770

CN1N=C(C(=O)Nc2ccc(Cc3ccc(F)cc3)cn2)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
GRM5 P41594 4/20 0.41
KDM4E B2RXH2 1/20 0.41
AHR P35869 1/20 0.38
PARP1 P09874 3/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PRKAA2 P54646 2/20 0.36

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
SCHEMBL29353935 1.00 RAB9A (0.46) RAB9AGRM5KDM4EAHRPARP1
SCHEMBL21395043 0.92 RAB9A (0.47) RAB9AGRM5KDM4EAHRPARP1
SCHEMBL29355445 0.92 RAB9A (0.47) RAB9AGRM5KDM4EAHRPARP1
SCHEMBL29359190 0.90 RAB9A (0.47) RAB9AKDM4EPARP1POLBALDH1A1
SCHEMBL29358624 0.90 RAB9A (0.47) RAB9APARP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL21394472 0.90 RAB9A (0.47) RAB9APARP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL21394808 0.90 RAB9A (0.47) RAB9AKDM4EPARP1POLBALDH1A1
SCHEMBL21394664 0.89 RAB9A (0.44) RAB9AGRM5AHRPARP1ALDH1A1
SCHEMBL21394559 0.89 RAB9A (0.44) RAB9AKDM4EAHRPARP1POLB
SCHEMBL29358581 0.89 RAB9A (0.44) RAB9AKDM4EAHRPARP1POLB

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