SCHEMBL19590970

SCHEMBL19590970

CN1C(=O)c2c(ncn2CC(=O)Nc2ccccc2SCc2ccccc2)N(C)C1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CYP2C9 P11712 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ TP53 P04637 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL23416909 0.76 PORCN (0.58) CYP1A2CYP2D6
SCHEMBL10114441 0.75 ALDH1A1 (0.76) SMN1; SMN2ALDH1A1NPSR1TP53CYP1A2
SCHEMBL23974592 0.74 TSHR (0.57) SMN1; SMN2ALDH1A1HPGDGAAPOLB
SCHEMBL23416897 0.74 CYP1A2 (0.42) SMN1; SMN2ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL19626552 0.73 TRPA1 (0.38) SMN1; SMN2ALDH1A1NPSR1HPGDKDM4E
SCHEMBL19590937 0.73 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL19626687 0.72 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1HPGDCYP1A2POLB
SCHEMBL19036650 0.72 YTHDC1 (0.43) SMN1; SMN2ALDH1A1NPSR1CYP2C9HPGD
SCHEMBL21935695 0.71 PORCN (0.46) SMN1; SMN2TP53
SCHEMBL22085071 0.71 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1NPSR1POLBKDM4E

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-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 — — US disclosed
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