SCHEMBL11825860

SCHEMBL11825860

Cc1nnc2cc(-c3ccccc3Cl)c3cc(Cl)ccc3n12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 1/20 0.48
▸ FNTA P49354 1/20 0.45
▸ FNTB P49356 1/20 0.45
▸ BRD4 O60885 8/20 0.44
▸ PDE2A O00408 2/20 0.43
▸ PDE10A Q9Y233 2/20 0.43
▸ GABRA1 P14867 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL11823985 0.88 SMN1; SMN2 (0.45) BRD4PDE2APDE10AKDM4EALDH1A1
SCHEMBL11826249 0.87 HSD11B1 (0.47) MAT2AFNTAFNTBBRD4PDE2A
SCHEMBL11825891 0.87 MAT2A (0.47) MAT2AFNTAFNTBBRD4PDE2A
SCHEMBL11834615 0.85 MAT2A (0.64) MAT2AFNTAFNTBBRD4GABRA1
SCHEMBL11826377 0.84 PDE2A (0.47) MAT2AFNTAFNTBBRD4PDE2A
SCHEMBL11819978 0.82 MAPT (0.41) FNTAFNTBBRD4GABRA1GABRG2
SCHEMBL11828073 0.80 FNTA (0.46) MAT2AFNTAFNTBBRD4PDE2A
SCHEMBL5794890 0.76 MAT2A (0.53) MAT2AFNTAFNTBBRD4PDE2A
SCHEMBL5793173 0.75 PDE2A (0.45) PDE2APDE10AGABRA1GABRG2HTR2A
SCHEMBL11822371 0.69 MAT2A (0.46) MAT2AFNTAFNTBBRD4GABRA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4000151-A TRANQUILIZERS, SEDATIVES THE UPJOHN COMPANY (US) 1976-12-28 — — US disclosed
US-4000153-A TRANQUILIZERS, SEDATIVES THE UPJOHN COMPANY (US) 1976-12-28 — — US disclosed
US-3993660-A 2-[3-(Phthalimidomethyl)-5-methyl-4H-1,2,4-triazol-4-yl]benzophenones THE UPJOHN COMPANY (US) 1976-11-23 — — US disclosed
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