SCHEMBL10405014

SCHEMBL10405014

CC(C)(C)c1ccc(CCNC(=O)c2[nH]nc3c2CCCC3)cn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.40
▸ PARP1 P09874 7/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ESRRG P62508 1/20 0.36

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
SCHEMBL20037449 0.73 KDM4E (0.53) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL23657866 0.72 RAB9A (0.54) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL10405015 0.67 L3MBTL1 (0.45) MAPTSMN1; SMN2ALDH1A1GAARAB9A
SCHEMBL20249206 0.66 MTNR1A (0.46) ESRRG
SCHEMBL14430745 0.65 KMT2A (0.53) MAPTPARP1SMN1; SMN2ALDH1A1GAA
SCHEMBL13545865 0.65 TP53 (0.49) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL16643809 0.64 GAA (0.36) SMN1; SMN2ALDH1A1GAANPC1RAB9A
SCHEMBL17927741 0.64 HCAR2 (0.39) MAPTSMN1; SMN2ALDH1A1GAANPC1
SCHEMBL13545872 0.64 MAPK1 (0.45) MAPTPARP1SMN1; SMN2ALDH1A1GAA
SCHEMBL15215450 0.63 P4HTM (0.58) ALDH1A1CA1CA2

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-4968805-A Pyrazole derivatives and insecticidal fungicidal and miticidal compositions thereof MITSUBISHI KASEI CORPORATION (JP) 1990-11-06 — — US disclosed
Send feedback