SCHEMBL14615274

SCHEMBL14615274

COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1Cl

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.80
▸ SMN1; SMN2 Q16637 5/20 0.80
▸ TP53 P04637 4/20 0.80
▸ ALDH1A1 P00352 4/20 0.65
▸ KMT2A Q03164 4/20 0.65
▸ MEN1 O00255 3/20 0.65
▸ NPSR1 Q6W5P4 2/20 0.65
▸ KDM4E B2RXH2 1/20 0.65
▸ LMNA P02545 1/20 0.65
▸ CYP1A2 P05177 2/20 0.65
▸ CYP3A4 P08684 2/20 0.65
▸ CYP2C19 P33261 2/20 0.65
▸ NPC1 O15118 1/20 0.65
▸ CYP2D6 P10635 1/20 0.65
▸ THRB P10828 3/20 0.64
▸ FOXO1 Q12778 1/20 0.64
▸ MAPK14 Q16539 1/20 0.62
▸ SMO Q99835 1/20 0.62
▸ HPGD P15428 3/20 0.61
▸ HPSE Q9Y251 3/20 0.60

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
SCHEMBL14615276 0.90 MAPT (0.76) MAPTSMN1; SMN2TP53ALDH1A1KMT2A
SCHEMBL30442877 0.85 MAPT (0.63) MAPTSMN1; SMN2TP53ALDH1A1KMT2A
SCHEMBL25232982 0.85 MAPT (0.63) MAPTSMN1; SMN2TP53ALDH1A1KMT2A
SCHEMBL6263969 0.85 MAPT (0.79) MAPTSMN1; SMN2TP53ALDH1A1KMT2A
SCHEMBL14615293 0.83 MAPT (0.72) MAPTSMN1; SMN2TP53ALDH1A1KMT2A
SCHEMBL14615299 0.83 MAPT (0.66) MAPTTP53ALDH1A1KMT2AMEN1
SCHEMBL13679553 0.82 MAPT (0.71) MAPTSMN1; SMN2TP53ALDH1A1KMT2A
SCHEMBL13679550 0.82 MAPT (0.70) MAPTSMN1; SMN2TP53ALDH1A1KMT2A
SCHEMBL14615292 0.80 MAPT (0.69) MAPTSMN1; SMN2TP53ALDH1A1KMT2A
SCHEMBL6246003 0.80 HPSE (0.80) MAPTKMT2AMEN1KDM4ECYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354397-B2 Controlling cell differentiation, cell proliferation; anticancer agents CURIS, INC. (US) 2013-01-15 — — US disclosed
US-8354397-B2 Controlling cell differentiation, cell proliferation; anticancer agents CURIS, INC. (US) 2013-01-15 — — US disclosed
Send feedback