SCHEMBL5334228

SCHEMBL5334228

Cc1ccc(CNc2cc(-c3ccc(-c4ccc(C)cc4)cc3C)nn2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
TP53 P04637 6/20 0.40
BRD4 O60885 2/20 0.39
MAPT P10636 6/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
GAA P10253 4/20 0.36
BRD9 Q9H8M2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.36
POLB P06746 2/20 0.35
ESRRA P11474 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL5376214 0.92 TP53 (0.52) LMNATP53MAPTNPC1RAB9A
SCHEMBL5303639 0.88 LMNA (0.44) LMNATP53BRD4MAPTNPC1
SCHEMBL5333352 0.87 ALDH1A1 (0.48) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL5338164 0.83 NPC1 (0.53) LMNATP53MAPTNPC1RAB9A
SCHEMBL5363955 0.83 KDM4E (0.43) MAPTNPC1RAB9AL3MBTL1KDM4E
SCHEMBL10119766 0.79 MAPT (0.57) LMNATP53MAPTNPC1RAB9A
SCHEMBL5304358 0.78 MAPT (0.45) TP53MAPTNPC1RAB9AL3MBTL1
SCHEMBL5306328 0.78 F2 (0.47) TP53MAPTRAB9AGAAKDM4E
Hydrochloric Acid SCHEMBL5306307 0.78 ALDH1A1 (0.43) LMNATP53MAPTNPC1RAB9A
SCHEMBL5306913 0.77 CDK2 (0.40) MAPTNPC1RAB9AGAAKDM4E

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
WO-2007034279-A2 C3A ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER PRODUCTS INC. (US) 2007-03-29 WO disclosed