SCHEMBL6724848

SCHEMBL6724848

Oc1c(I)cc2c(I)c(OCc3cccc(I)c3)c(I)cc2c1I

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
F2 P00734 1/20 0.37
APP P05067 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
THPO P40225 1/20 0.35
RAB9A P51151 1/20 0.35
HIF1A Q16665 1/20 0.35
SLC26A3 P40879 2/20 0.34
TACR1 P25103 1/20 0.34
ANO1 Q5XXA6 3/20 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
SCHEMBL6721162 0.77 F2 (0.46) IDO1F2SLC26A3
SCHEMBL6725044 0.77 F2 (0.46) IDO1MAOAMAOBF2RAB9A
SCHEMBL6721262 0.76 IDO1 (0.42) IDO1MAOAMAOBF2APP
SCHEMBL4265967 0.71 F2 (0.49) IDO1F2RAB9A
SCHEMBL4276277 0.70 THRA (0.47) IDO1MAOAMAOBF2CYP1A2
SCHEMBL4271148 0.69 THRA (0.57) HIF1A
SCHEMBL6723744 0.67 THRA (0.43) IDO1F2
SCHEMBL6731780 0.67 TPMT (0.41) APP
SCHEMBL6724982 0.67 CXCR1 (0.61) MAOAMAOBCYP2C19
SCHEMBL6720850 0.67 TTR (0.50) APPCYP1A2HIF1A

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-6677473-B1 TREATMENT, PREVENTION OR AMELIORATION OF ONE OR MORE SYMPTOMS OF THROMBOTIC DISORDERS, UNSTABLE ANGINA OR CANCER CORVAS INTERNATIONAL INC 2004-01-13 US disclosed