SCHEMBL11412174

SCHEMBL11412174

CCN(CC)c1cccc(NC(=O)c2ccccc2C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ TP53 P04637 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ HTT P42858 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ AURKA O14965 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.45
▸ F2R P25116 2/20 0.44
▸ ALDH1A1 P00352 4/20 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
SCHEMBL10894466 0.82 MEN1 (0.62) LMNANPC1RAB9AMAPTTP53
SCHEMBL11425084 0.81 F2R (0.63) LMNANPC1RAB9AMAPTTP53
SCHEMBL11427659 0.78 HTT (0.60) NPC1RAB9AMAPTTP53KMT2A
SCHEMBL8356134 0.78 KCNK3 (0.63) LMNANPC1RAB9AMAPTTP53
SCHEMBL11427459 0.77 KMT2A (0.61) LMNANPC1RAB9AMAPTTP53
SCHEMBL28901051 0.77 LMNA (0.70) LMNANPC1RAB9AMAPTTP53
SCHEMBL697935 0.74 ALDH1A1 (0.58) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL29594409 0.74 ALDH1A1 (0.58) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL11438420 0.74 MEN1 (0.60) LMNANPC1RAB9AMAPTTP53
SCHEMBL11759949 0.74 KCNK3 (0.50) LMNANPC1RAB9AMAPTKMT2A

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-4217102-A Polyamides dyed with rubine disazo acid dyes and process therefore Toms River Chemical Company (US) 1980-08-12 — — US disclosed
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