SCHEMBL19590937

SCHEMBL19590937

CSc1cccc(NC(=O)Cn2cnc3c2C(=O)N(C)C(O)N3C)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ HPGD P15428 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ GFER P55789 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ MAPT P10636 5/20 0.45
▸ TP53 P04637 2/20 0.45
▸ LMNA P02545 2/20 0.44
▸ DRD4 P21917 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RXFP1 Q9HBX9 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
SCHEMBL19590943 0.81 GAA (0.45) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL20029975 0.80 MEN1 (0.48) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL22105261 0.79 PSEN1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19590945 0.78 THRB (0.46) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL19590966 0.77 ALDH1A1 (0.51) ALDH1A1KMT2APOLBMAPTTP53
SCHEMBL21935695 0.77 PORCN (0.46) TP53SMN1; SMN2RXFP1
SCHEMBL19590905 0.77 TRPA1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL22105260 0.77 KMT2A (0.46) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL20290287 0.77 POLB (0.51) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL19626687 0.76 SMN1; SMN2 (0.42) ALDH1A1HPGDCYP1A2MEN1KMT2A

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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