SCHEMBL11406653

SCHEMBL11406653

Fc1ccc(/N=C/c2ccc(F)cc2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.53
▸ GRIN3B O60391 2/20 0.53
▸ GRIN1 Q05586 2/20 0.53
▸ GRIN2A Q12879 2/20 0.53
▸ GRIN2B Q13224 2/20 0.53
▸ GRIN2C Q14957 2/20 0.53
▸ GRIN3A Q8TCU5 2/20 0.53
▸ NFE2L2 Q16236 4/20 0.50
▸ PTGS2 P35354 5/20 0.46
▸ PTGS1 P23219 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL11406654 1.00 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19967365 0.89 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11404562 0.89 NFE2L2 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11404558 0.89 NFE2L2 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11406890 0.84 NFE2L2 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11406887 0.84 NFE2L2 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11406101 0.83 NFE2L2 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11406105 0.83 NFE2L2 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5309729 0.82 CA2 (0.64) PTGS2PTGS1CA12CA1CA2
SCHEMBL5309725 0.82 CA2 (0.64) PTGS2PTGS1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4235929-A TOPICAL ADMINISTRATION OF ANTIINFLAMMATORY AGENT WILLIAM H. RORER, INC. (US) 1980-11-25 — — US disclosed
US-4230727-A N-BENZYLIDENEANILINE AND DERIVATIVES WILLIAM H. RORER, INC. (US) 1980-10-28 — — US disclosed
US-4198349-A ANTIINFLAMMATORY, TOPICAL WILLIAM H. RORER, INC. (US) 1980-04-15 — — US disclosed
US-4187317-A Sunscreen and erythema treating with N-benzylidene anilenes WILLIAM H. RORER, INC. (US) 1980-02-05 — — US disclosed
US-4176198-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1979-11-27 — — US disclosed
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