SCHEMBL19590943

SCHEMBL19590943

CN1C(=O)c2c(ncn2CC(=O)Nc2cccnc2)N(C)C1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ NOTUM Q6P988 5/20 0.43
▸ GLA P06280 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL21935695 0.84 PORCN (0.46) SMN1; SMN2
SCHEMBL19626637 0.82 PORCN (0.51) —
SCHEMBL19590937 0.81 ALDH1A1 (0.50) GAASMN1; SMN2DRD4HPGDCYP1A2
SCHEMBL19997382 0.80 PORCN (0.40) GAASMN1; SMN2CASP7LMNAALDH1A1
SCHEMBL22105263 0.80 PORCN (0.40) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19590909 0.78 KMT2A (0.47) GAASMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL20030198 0.78 TRPA1 (0.56) SMN1; SMN2HPGDLMNAALDH1A1KDM4E
SCHEMBL22105261 0.78 PSEN1 (0.41) GAASMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL19997380 0.78 WNT3A (0.44) —
SCHEMBL19997366 0.77 POLB (0.46) SMN1; SMN2HPGDLMNAPOLBALDH1A1

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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