SCHEMBL9364641

SCHEMBL9364641

CCC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.59
MAPT P10636 1/20 0.57
ACP1 P24666 2/20 0.55
LMNA P02545 1/20 0.53
ALDH1A1 P00352 2/20 0.51
P2RX1 P51575 7/20 0.49
TACR1 P25103 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
TRPA1 O75762 1/20 0.46
CYP1A2 P05177 1/20 0.46
P2RX7 Q99572 2/20 0.46
TMPRSS4 Q9NRS4 1/20 0.46
P2RX4 Q99571 1/20 0.45

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
SCHEMBL7692960 0.83 GPR35 (0.74) GPR35MAPTACP1LMNAP2RX1
SCHEMBL14263848 0.82 ALDH1A1 (0.65) GPR35MAPTACP1LMNAALDH1A1
SCHEMBL9364645 0.79 GPR35 (0.68) GPR35MAPTACP1LMNAALDH1A1
SCHEMBL17494177 0.78 GPR35 (0.92) GPR35MAPTACP1LMNAALDH1A1
SCHEMBL16628091 0.76 LMNA (0.71) GPR35MAPTACP1LMNAALDH1A1
SCHEMBL2161415 0.76 MAPT (0.67) GPR35MAPTACP1LMNAALDH1A1
SCHEMBL5773763 0.76 MAPT (0.67) GPR35MAPTACP1LMNAALDH1A1
SCHEMBL2681462 0.75 MAPT (0.78) GPR35MAPTACP1LMNAALDH1A1
SCHEMBL11788448 0.74 MAPT (0.63) GPR35MAPTACP1LMNAALDH1A1
SCHEMBL5833345 0.74 GPR35 (0.66) GPR35MAPTACP1LMNAALDH1A1

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
EP-0377112-B1 Quinoxaline compounds and their preparation and use NOVO NORDISK AS (DK) 1994-08-24 EP disclosed
US-5061706-A 2,3-QUINOXALINEDIONES FOR USE AS NEUROLEPTICS NOVO NORDISK A/S (DK) 1991-10-29 US disclosed
EP-0377112-A1 Quinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1990-07-11 EP disclosed