SCHEMBL23501644

SCHEMBL23501644

Cc1ccc(C(=O)O)cc1CN(C)c1cncc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.44
▸ HCAR2 Q8TDS4 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HTT P42858 7/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ PKM P14618 1/20 0.40
▸ SMN1; SMN2 Q16637 6/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 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
SCHEMBL29933872 1.00 POLB (0.44) POLBHCAR2ALDH1A1MEN1KMT2A
SCHEMBL29933997 0.87 PKM (0.43) ALDH1A1MEN1KMT2AHTTRAB9A
SCHEMBL29934060 0.80 TAS1R3 (0.47) MEN1KMT2AKDM4E
SCHEMBL29934040 0.75 POLB (0.44) POLBHCAR2ALDH1A1KDM4EHTT
SCHEMBL23501594 0.75 POLB (0.44) POLBHCAR2ALDH1A1KDM4EHTT
SCHEMBL7968434 0.68 MRGPRX4 (0.49) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL3258577 0.68 ALDH1A1 (0.52) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL27637429 0.68 MRGPRX4 (0.51) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL27735801 0.68 MAPT (0.32) POLBHCAR2KDM4EHTTRAB9A
SCHEMBL23501607 0.68 HDAC8 (0.53) POLBHCAR2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115315421-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2022-11-08 — — CN disclosed
WO-2021117846-A1 COMPOUND SERVING AS PDGF RECEPTOR KINASE INHIBITOR, AND COMPOSITION 日本新薬株式会社 2021-06-17 — — WO disclosed
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