SCHEMBL9685909

SCHEMBL9685909

C1=CC(NCc2ccco2)CCC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.60
KMT2A Q03164 5/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.45
ALDH1A1 P00352 4/20 0.43
ALKBH5 Q6P6C2 1/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL23456094 0.77 USP2 (0.96) USP2KMT2AMAPTPOLBALDH1A1
SCHEMBL6647891 0.77 USP2 (0.83) USP2KMT2AMAPTPOLBALDH1A1
SCHEMBL13990231 0.76 USP2 (1.00) USP2KMT2AMAPTPOLBALDH1A1
SCHEMBL8926256 0.74 GRIN2B (0.49) USP2KMT2AALDH1A1HPGDMEN1
SCHEMBL15456733 0.74 USP2 (0.72) USP2KMT2AMAPTPOLBALDH1A1
SCHEMBL15456367 0.74 USP2 (0.72) USP2KMT2AMAPTPOLBALDH1A1
SCHEMBL15456368 0.74 USP2 (0.72) USP2KMT2AMAPTPOLBALDH1A1
SCHEMBL13280577 0.74 USP2 (0.72) USP2KMT2AMAPTPOLBALDH1A1
Ammonia Solution, Strong SCHEMBL13281351 0.72 USP2 (0.70) USP2KMT2AMAPTPOLBALDH1A1
SCHEMBL15456392 0.71 USP2 (0.78) USP2KMT2AMAPTPOLBALDH1A1

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
US-5162322-A Anxiolytic agetns; humans, animals A. H. ROBBINS COMPANY, INCORPORATED (US) 1992-11-10 US disclosed