SCHEMBL5306369

SCHEMBL5306369

COc1cccc(CNc2cc(-c3ccc(-c4ccc(C)c(C)c4)cc3)nn2C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.48
MAPT P10636 5/20 0.46
ACP1 P24666 1/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43
PFKFB3 Q16875 1/20 0.43
TSHR P16473 3/20 0.43
CLK4 Q9HAZ1 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
MAPK1 P28482 2/20 0.43
CYP2C19 P33261 2/20 0.43
PRKACA P17612 1/20 0.42
PRKACG P22612 1/20 0.42
PRKACB P22694 1/20 0.42

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
SCHEMBL5303090 0.88 MAPT (0.51) TP53MAPTACP1ALDH1A1HSD17B10
SCHEMBL5310087 0.87 CYP1A2 (0.44) MAPTALDH1A1HSD17B10KDM4EHPGD
SCHEMBL5332325 0.85 MAPT (0.45) TP53MAPTPOLBGAACLK4
SCHEMBL5306559 0.84 KDM4E (0.47) TP53MAPTALDH1A1HSD17B10KDM4E
SCHEMBL5304392 0.82 CYP1A2 (0.45) TP53MAPTALDH1A1HSD17B10HPGD
SCHEMBL5303639 0.81 LMNA (0.44) TP53MAPTALDH1A1HSD17B10KDM4E
SCHEMBL5306913 0.80 CDK2 (0.40) MAPTALDH1A1KDM4EPOLBGAA
SCHEMBL5307225 0.80 MAPT (0.48) TP53MAPTACP1ALDH1A1HSD17B10
SCHEMBL5306328 0.79 F2 (0.47) TP53MAPTALDH1A1KDM4EHPGD
SCHEMBL5304358 0.79 MAPT (0.45) TP53MAPTPOLBCLK4CYP1A2

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