SCHEMBL19590905

SCHEMBL19590905

CN1C(=O)c2c(ncn2CC(=O)Nc2ccc(C(C)(C)O)cc2)N(C)C1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 5/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TRPV4 Q9HBA0 1/20 0.39
▸ TP53 P04637 2/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.37
▸ HTT P42858 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ LMNA P02545 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
SCHEMBL20029975 0.86 MEN1 (0.48) TRPA1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL21935695 0.84 PORCN (0.46) TRPA1SMN1; SMN2TRPV4TP53RXFP1
SCHEMBL20030198 0.82 TRPA1 (0.56) TRPA1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19590909 0.82 KMT2A (0.47) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL19626536 0.81 MAPT (0.47) TRPA1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL19626687 0.81 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL22105263 0.80 PORCN (0.40) TRPA1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL22105261 0.80 PSEN1 (0.41) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL19997382 0.80 PORCN (0.40) TRPA1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL19590943 0.80 GAA (0.45) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6

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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