SCHEMBL2785487

SCHEMBL2785487

CCOc1ccc(Cl)cc1-c1ccc(NC(=O)Oc2ccncc2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ NAMPT P43490 2/20 0.42
▸ AGPAT2 O15120 3/20 0.42
▸ POLQ O75417 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KCNMA1 Q12791 1/20 0.41
▸ ALPL P05186 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ ATR Q13535 1/20 0.40

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
SCHEMBL2785788 0.89 KCNMA1 (0.51) HTR2AHTR2CKCNMA1
SCHEMBL1825361 0.85 KCNMA1 (0.52) POLQRAB9AKCNMA1TAS1R3TAS1R1
SCHEMBL2784528 0.78 ORAI1 (0.62) LMNA
SCHEMBL2784671 0.78 FAAH (0.46) NAMPTRAB9A
SCHEMBL2784668 0.78 PORCN (0.42) —
SCHEMBL2784233 0.78 ORAI1 (0.58) HTR2AHTR2CKCNMA1
SCHEMBL2786000 0.78 FAAH (0.46) NAMPTRAB9A
SCHEMBL2785484 0.75 IL2 (0.50) HTR2CNAMPTAGPAT2
SCHEMBL2785920 0.75 PDE10A (0.40) RAB9A
SCHEMBL2785271 0.74 F11 (0.50) LMNARAB9AKCNMA1

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-1651232-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-12-22 — — EP claimed
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