SCHEMBL31437787

SCHEMBL31437787

CC(C)=Cc1cc(Br)nn1C1CCCNC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.40
PIM2 Q9P1W9 4/20 0.40
PIM3 Q86V86 2/20 0.33
F10 P00742 1/20 0.32
CHEK1 O14757 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM3 P20309 1/20 0.32
HDAC1 Q13547 5/20 0.32
TGFBR1 P36897 1/20 0.31
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
HDAC8 Q9BY41 3/20 0.31
HDAC6 Q9UBN7 3/20 0.31
HTR2B P41595 1/20 0.30
TLR8 Q9NR97 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL31437782 0.83 KDM4E (0.35)
SCHEMBL31437970 0.83 KDM4E (0.35)
SCHEMBL31437765 0.74 DHODH (0.31)
SCHEMBL31437872 0.74
SCHEMBL31437824 0.70 TLR8 (0.37) TLR8
SCHEMBL31437751 0.68 FPR2 (0.43) HDAC6
SCHEMBL30022464 0.67 F10 (0.42) PIM1PIM2PIM3F10CHRM2
SCHEMBL24710902 0.63 TLR8 (0.43) PIM1PIM2PIM3F10HTR2B
SCHEMBL29145782 0.63 TLR8 (0.43) PIM1PIM2PIM3F10HTR2B
SCHEMBL30879853 0.62 HTR6 (0.47) HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025011533-A1 CARBOXYLIC ACID COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海宇道生物技术有限公司 2025-01-16 WO disclosed