SCHEMBL10550679

SCHEMBL10550679

Cc1csc(NCCN2CCC(Cc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
SSTR5 P35346 4/20 0.46
KCNH2 Q12809 4/20 0.45
CYP2D6 P10635 4/20 0.45
CHRM1 P11229 4/20 0.45
HRH1 P35367 4/20 0.45
EED O75530 2/20 0.44
MEN1 O00255 1/20 0.44
MLNR O43193 1/20 0.44
CACNA1F O60840 1/20 0.44
USP2 O75604 1/20 0.44
ABCB11 O95342 1/20 0.44
EGFR P00533 1/20 0.44
LMNA P02545 1/20 0.44
HLA-A P04439 1/20 0.44
ERBB2 P04626 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44

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
Oxalic Acid SCHEMBL10798146 0.95 TP53 (0.46) RAB9ASSTR5KCNH2CYP2D6CHRM1
Oxalic Acid SCHEMBL10798151 0.95 TP53 (0.46) RAB9ASSTR5KCNH2CYP2D6CHRM1
SCHEMBL10551189 0.89 SSTR5 (0.47) RAB9ASSTR5KCNH2CYP2D6CHRM1
SCHEMBL9540474 0.87 SSTR5 (0.46) RAB9ASSTR5KCNH2CYP2D6HRH1
SCHEMBL9539265 0.87 HRH1 (0.43) RAB9ASSTR5KCNH2CYP2D6CHRM1
Oxalic Acid SCHEMBL10551011 0.86 TP53 (0.44) RAB9ASSTR5KCNH2CYP2D6CHRM1
SCHEMBL10750144 0.85 SSTR5 (0.66) SSTR5KCNH2CYP2D6CHRM1HRH1
Oxalic Acid SCHEMBL9537634 0.85 MCHR1 (0.42) RAB9ASSTR5KCNH2CYP2D6CHRM1
Oxalic Acid SCHEMBL9537639 0.85 MCHR1 (0.42) RAB9ASSTR5KCNH2CYP2D6CHRM1
SCHEMBL10549525 0.84 RAB9A (0.55) RAB9ASSTR5KCNH2CYP2D6CHRM1

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
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed