SCHEMBL9634851

SCHEMBL9634851

NC(=O)c1nnn(Cc2ccccc2)c1C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 1/20 0.55
TSHR P16473 3/20 0.51
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP19A1 P11511 1/20 0.48
GAA P10253 1/20 0.48
IDO1 P14902 1/20 0.46
HTT P42858 2/20 0.46
HCAR3 P49019 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL17286362 0.84 HPGD (0.61) HPGDSMN1; SMN2CYP1A2TSHRALDH1A1
SCHEMBL11245223 0.84 HPGD (0.80) HPGDSMN1; SMN2CYP1A2TSHRMEN1
SCHEMBL15924211 0.83 HPGD (0.60) HPGDSMN1; SMN2CYP1A2TSHRMEN1
SCHEMBL9857974 0.82 LMNA (0.49) HPGDSMN1; SMN2TSHRALDH1A1MEN1
SCHEMBL17286361 0.82 HPGD (0.58) HPGDSMN1; SMN2CYP1A2TSHRALDH1A1
SCHEMBL17286360 0.82 CYP19A1 (0.66) HPGDSMN1; SMN2CYP1A2TSHRALDH1A1
SCHEMBL4143003 0.81 HPGD (0.69) HPGDSMN1; SMN2CYP1A2TSHRALDH1A1
SCHEMBL17286364 0.81 HPGD (0.57) HPGDSMN1; SMN2CYP1A2TSHRALDH1A1
SCHEMBL17270504 0.81 HPGD (0.57) HPGDSMN1; SMN2CYP1A2TSHRALDH1A1
SCHEMBL9857450 0.80 GRM2 (0.45) HPGDTSHRALDH1A1MEN1KMT2A

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-5147553-A Separation of fluid mixture IONICS, INCORPORATED (US) 1992-09-15 US disclosed