SCHEMBL9367998

SCHEMBL9367998

CCOc1cc2c3c(Br)cc(OCC)c(OCC)c3n(Cc3ccc(C#N)cc3)c2cc1OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.53
PRKACA P17612 1/20 0.53
PRKACG P22612 1/20 0.53
PRKACB P22694 1/20 0.53
PIK3R1 P27986 3/20 0.41
PIK3CA P42336 3/20 0.41
DRD4 P21917 1/20 0.38
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK14 Q16539 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
FNTA P49354 3/20 0.34
FNTB P49356 3/20 0.34
PGGT1B P53609 3/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL7984116 0.83 SRC (0.55) SRCPRKACAPRKACGPRKACBPIK3R1
SCHEMBL7980223 0.70 SRC (1.00) SRCPRKACAPRKACGPRKACBPIK3R1
SCHEMBL7981528 0.68 SRC (0.52) SRCPRKACAPRKACGPRKACBPIK3R1
SCHEMBL944720 0.62 TRPV4 (0.53) DRD4MAPTTDP1LMNASMN1; SMN2
SCHEMBL29710928 0.62 TRPV4 (0.56) DRD4LMNATSHRTRPV4PDE5A
SCHEMBL523892 0.61 TRPV4 (0.50) LMNATSHRSMN1; SMN2TRPV4KDM4E
SCHEMBL1402437 0.60 TRPV4 (0.61) DRD4MAPTSMN1; SMN2TRPV4KDM4E
SCHEMBL22465375 0.59 ALOX5AP (0.49) MAPTSMN1; SMN2FNTAFNTBPGGT1B
SCHEMBL28048048 0.58 KDM4E (0.43) MAPTLMNATSHRSMN1; SMN2TRPV4
SCHEMBL12187513 0.57 LMNA (0.63) MAPTTDP1LMNATSHRSMN1; SMN2

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
EP-0586608-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1994-03-16 EP disclosed