SCHEMBL29757474

SCHEMBL29757474

COC(=O)c1c(-c2ccc(Br)cn2)nnn1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LPAR1 Q92633 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL23362593 1.00 KDM4E (0.37) KDM4ELMNASMN1; SMN2RAB9ANPC1
SCHEMBL23363199 0.85 ALDH1A1 (0.42) KDM4ERAB9ATSHRALDH1A1LPAR1
SCHEMBL30309354 0.84 ADCY10 (0.35) KDM4ESMN1; SMN2RAB9ANPC1CYP1A2
SCHEMBL23384341 0.84 ADCY10 (0.35) KDM4ESMN1; SMN2RAB9ANPC1CYP1A2
Hydrochloric Acid SCHEMBL23362550 0.83 ADCY10 (0.35) KDM4ESMN1; SMN2RAB9ANPC1CYP1A2
Hydrochloric Acid SCHEMBL29757461 0.83 ADCY10 (0.35) KDM4ESMN1; SMN2RAB9ANPC1CYP1A2
SCHEMBL19715541 0.81 RAB9A (0.47) KDM4ELMNASMN1; SMN2RAB9ACYP1A2
SCHEMBL23362584 0.78 NPC1 (0.36) KDM4ELMNASMN1; SMN2RAB9ANPC1
SCHEMBL29757487 0.78 NPC1 (0.36) KDM4ELMNASMN1; SMN2RAB9ANPC1
SCHEMBL24816626 0.78 MAPK1 (0.50) KDM4ERAB9ANPC1HTTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728168-B Triazole carbamate pyridylsulfonamides as LPA receptor antagonists and their use 吉利德科学公司 2024-04-09 CN disclosed
CN-115942972-A LPA receptor antagonists and uses thereof 吉利德科学公司 2023-04-07 CN disclosed
CN-114728168-A Triazolecarbamate pyridylsulfonamides as LPA receptor antagonists and their use 吉利德科学公司 2022-07-08 CN disclosed