SCHEMBL30668239

SCHEMBL30668239

[H+].[Na].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
ATM Q13315 1/20 0.36
MAPK1 P28482 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTR6 P50406 1/20 0.33
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 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
SCHEMBL4285991 0.96 ALDH1A1 (0.47) ALDH1A1LMNAMAPTNPSR1TP53
Lithium SCHEMBL29385508 0.93 ALDH1A1 (0.44) ALDH1A1LMNAMAPTNPSR1TP53
SCHEMBL11707018 0.93 ALDH1A1 (0.50) ALDH1A1LMNAMAPTNPSR1TP53
SCHEMBL143876 0.93 ALDH1A1 (0.50) ALDH1A1LMNAMAPTNPSR1TP53
Benzene SCHEMBL31091106 0.93 ALDH1A1 (0.50) ALDH1A1LMNAMAPTNPSR1TP53
SCHEMBL1132217 0.89 ALDH1A1 (0.47) ALDH1A1LMNAMAPTNPSR1TP53
SCHEMBL404594 0.89 ALDH1A1 (0.47) ALDH1A1LMNAMAPTNPSR1TP53
Phosphine SCHEMBL9242100 0.89 ALDH1A1 (0.47) ALDH1A1LMNAMAPTNPSR1TP53
Ammonia Solution, Strong SCHEMBL234555 0.89 ALDH1A1 (0.47) ALDH1A1LMNAMAPTNPSR1TP53
Silver SCHEMBL333097 0.89 ALDH1A1 (0.47) ALDH1A1LMNAMAPTNPSR1TP53

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
CN-110998439-B Lithographic printing plate precursor, method for producing lithographic printing plate, and color-developing composition 富士胶片株式会社 2023-09-19 CN disclosed