SCHEMBL19590972

SCHEMBL19590972

COc1ccc(C)cc1NC(=O)Cn1cnc2c1C(=O)N(C)C(O)N2C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ POLB P06746 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ THRB P10828 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ TP53 P04637 2/20 0.44

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
SCHEMBL19590966 0.82 ALDH1A1 (0.51) KMT2APOLBALDH1A1KDM4EMAPT
SCHEMBL19590909 0.79 KMT2A (0.47) MEN1KMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL20290287 0.78 POLB (0.51) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL19997366 0.78 POLB (0.46) SMN1; SMN2POLBALDH1A1KDM4EHPGD
SCHEMBL19590945 0.77 THRB (0.46) MEN1KMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL22085071 0.77 SMN1; SMN2 (0.46) MEN1KMT2ATSHRSMN1; SMN2POLB
SCHEMBL22105261 0.77 PSEN1 (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL20079712 0.75 TDP1 (0.47) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL22105260 0.75 KMT2A (0.46) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL10114522 0.73 ALOX15 (0.78) KMT2ATSHRPOLBALDH1A1KDM4E

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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