SCHEMBL7546895

SCHEMBL7546895

CCC=C(C)c1cccc(NC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CREBBP Q92793 1/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
MCL1 Q07820 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
SCHEMBL7995720 0.82 MEN1 (0.36) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1984246 0.77 C1S (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL14604983 0.77 CA12 (0.44) ALDH1A1MAPTLMNATSHR
SCHEMBL1984244 0.77 C1S (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL15587046 0.77 C1S (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL14605000 0.75 HTT (0.45) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL18945369 0.75 PTGS1 (0.54) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL14604993 0.75 PTGS1 (0.54) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL1193963 0.73 KDM1A (0.42) CYP1A2
SCHEMBL2490467 0.73 KDM1A (0.42) CYP1A2

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
EP-1214288-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept Inc. (US) 2002-06-19 EP disclosed
WO-2001017943-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2001-03-15 WO disclosed