SCHEMBL20656799

SCHEMBL20656799

C=C(/C=C\C)NC(=S)N1CCC2(CC1)NCC(=O)N2Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 6/20 0.36
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 2/20 0.34
HTT P42858 2/20 0.33
CYP2D6 P10635 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL20365038 0.81 CYP2D6 (0.36) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL15423927 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL24106959 0.78 RIPK1 (0.39) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL15426043 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2ALMNA
Simufilam SCHEMBL12627054 0.74 MC4R (0.46) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL24106950 0.74 OPRD1 (0.46) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL15423928 0.74 LMNA (0.43) ALDH1A1KDM4ELMNASMN1; SMN2HTT
Simufilam SCHEMBL22361802 0.73 MC4R (0.45) ALDH1A1KDM4EMEN1MAPTKMT2A
Simufilam SCHEMBL22361808 0.73 MC4R (0.45) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL15423926 0.73 FAAH (0.56) ALDH1A1KDM4EMAPTCYP2D6

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
EP-2882428-B1 A METHOD OF INHIBITING TAU PHOSPHORYLATION PAIN THERAPEUTICS INC (US) 2019-01-16 EP disclosed