SCHEMBL7368545

SCHEMBL7368545

O=C(O)c1cccnc1C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
RAB9A P51151 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
CNR2 P34972 2/20 0.60
SRD5A2 P31213 1/20 0.57
CYP3A4 P08684 2/20 0.56
LMNA P02545 2/20 0.56
MEN1 O00255 1/20 0.56
GMNN O75496 1/20 0.56
TTR P02766 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
PKM P14618 1/20 0.56
NFKB1 P19838 1/20 0.56
UGT1A1 P22309 1/20 0.56
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
PMP22 Q01453 1/20 0.56
DHODH Q02127 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL7364437 0.89 SRD5A2 (0.57) ALDH1A1RAB9ASMN1; SMN2CNR2SRD5A2
SCHEMBL9268094 0.88 CNR2 (0.58) ALDH1A1RAB9ASMN1; SMN2CNR2SRD5A2
SCHEMBL9261800 0.85 CNR2 (0.55) ALDH1A1RAB9ASMN1; SMN2CNR2SRD5A2
SCHEMBL9169211 0.81 SRD5A2 (0.53) ALDH1A1RAB9ASMN1; SMN2CNR2SRD5A2
SCHEMBL9174010 0.81 DHODH (0.50) ALDH1A1RAB9ASMN1; SMN2CYP3A4DHODH
SCHEMBL9229493 0.80 SRD5A2 (0.67) ALDH1A1RAB9ASMN1; SMN2CNR2SRD5A2
SCHEMBL7347947 0.79 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2CYP3A4LMNAMEN1
SCHEMBL9165022 0.79 SRD5A2 (0.55) ALDH1A1RAB9ASMN1; SMN2CNR2SRD5A2
SCHEMBL7370711 0.79 POLB (0.63) ALDH1A1RAB9ACYP3A4LMNAMEN1
SCHEMBL7365802 0.79 MAPT (0.56) ALDH1A1RAB9ASMN1; SMN2CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5393730-A Preemergence, postemergence herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1995-02-28 US claimed
EP-0606843-A1 Nicotinic acid derivative RHONE POULENC AGRICULTURE LTD. (GB) 1994-07-20 EP claimed
US-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US disclosed
US-5405826-A Herbicidal pyridopyridazinones and pyridopyridazinethiones RHONE POULENC AGRICULTURE LIMITED (GB) 1995-04-11 US disclosed
US-5393730-A Preemergence, postemergence herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1995-02-28 US disclosed
EP-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
EP-0606843-A1 Nicotinic acid derivative RHONE POULENC AGRICULTURE LTD. (GB) 1994-07-20 EP disclosed
EP-0555957-A1 Pyrido 2,3-d pyridazine derivatives as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-08-18 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed