SCHEMBL6987133

SCHEMBL6987133

O=C(NCc1cnc[nH]1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
TP53 P04637 1/20 0.55
ALDH1A1 P00352 1/20 0.54
DDR1 Q08345 1/20 0.49
TP53BP1 Q12888 1/20 0.49

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
SCHEMBL6987138 0.86 KDM1A (0.51)
SCHEMBL31188605 0.80 TAAR1 (0.55) TP53ALDH1A1
SCHEMBL11626087 0.77 VNN1 (0.63) POLBTP53ALDH1A1
SCHEMBL11626058 0.77 VNN1 (0.67) ALDH1A1DDR1
SCHEMBL23447721 0.76 MLYCD (0.77) POLBTP53ALDH1A1
Hydrochloric Acid SCHEMBL11627866 0.76 VNN1 (0.65) ALDH1A1DDR1
SCHEMBL6981160 0.75 PTGES (0.49)
SCHEMBL23447718 0.75 LMNA (0.74) POLBTP53ALDH1A1
SCHEMBL21858046 0.74 CYP3A4 (0.67)
SCHEMBL30739602 0.73 POLB (0.78) POLBTP53ALDH1A1DDR1TP53BP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324999-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2003-07-09 EP disclosed
WO-2002030927-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2002-04-18 WO disclosed