SCHEMBL5363950

SCHEMBL5363950

Cc1ccc(-c2ccc(-c3cc(C(N)c4ccccn4)n(C)n3)c(C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.40
SLC11A2 P49281 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 2/20 0.33
STAT1 P42224 1/20 0.33
DCTPP1 Q9H773 2/20 0.32
BRD4 O60885 1/20 0.32
BTK Q06187 1/20 0.31
PHGDH O43175 1/20 0.31
FLT3 P36888 1/20 0.31

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
SCHEMBL5333351 0.80 CYP17A1 (0.37) GRM5SMN1; SMN2NPC1RAB9AGAA
SCHEMBL5338160 0.79 CYP2C19 (0.32) GRM5SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL5330573 0.73 MAPT (0.46) SMN1; SMN2NPC1ALDH1A1RAB9AMEN1
SCHEMBL5363955 0.71 KDM4E (0.43) SMN1; SMN2NPC1ALDH1A1RAB9AMEN1
SCHEMBL18633527 0.68 KDM4E (0.46) GRM5SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL26346705 0.66 GRM5 (0.45) GRM5SLC11A2SMN1; SMN2NPC1RAB9A
SCHEMBL15989883 0.64 KDM4E (0.44) GRM5SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL19665165 0.64 NPC1 (0.38) SMN1; SMN2NPC1ALDH1A1RAB9AMEN1
SCHEMBL19289607 0.64 KDM4E (0.44) GRM5NPC1RAB9AMEN1KMT2A
SCHEMBL20132487 0.64 CCR1 (0.47) SMN1; SMN2NPC1ALDH1A1RAB9AMEN1

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 claimed