SCHEMBL7364437

SCHEMBL7364437

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.57
ALDH1A1 P00352 3/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CNR2 P34972 2/20 0.56
TLR7 Q9NYK1 4/20 0.55
LMNA P02545 3/20 0.53
CYP3A4 P08684 2/20 0.53
MEN1 O00255 1/20 0.53
GMNN O75496 1/20 0.53
TTR P02766 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
NFKB1 P19838 1/20 0.53
UGT1A1 P22309 1/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
PMP22 Q01453 1/20 0.53
DHODH Q02127 1/20 0.53

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
SCHEMBL7368545 0.89 ALDH1A1 (0.63) SRD5A2ALDH1A1RAB9ASMN1; SMN2CNR2
SCHEMBL9268094 0.83 CNR2 (0.58) SRD5A2ALDH1A1RAB9ASMN1; SMN2CNR2
SCHEMBL8691204 0.80 LMNA (0.58) SRD5A2ALDH1A1RAB9ASMN1; SMN2CNR2
SCHEMBL9229493 0.80 SRD5A2 (0.67) SRD5A2ALDH1A1RAB9ASMN1; SMN2CNR2
SCHEMBL9261800 0.80 CNR2 (0.55) SRD5A2ALDH1A1RAB9ASMN1; SMN2CNR2
SCHEMBL296670 0.79 KDM4E (0.69) SRD5A2ALDH1A1SMN1; SMN2LMNACYP3A4
SCHEMBL7366799 0.79 POLB (0.63) ALDH1A1RAB9ASMN1; SMN2CYP3A4KMT2A
SCHEMBL7366513 0.79 MAPT (0.56) ALDH1A1RAB9ASMN1; SMN2CYP3A4MEN1
SCHEMBL7366851 0.79 ALOX15 (0.56) ALDH1A1SMN1; SMN2LMNACYP3A4MEN1
SCHEMBL9375327 0.78 KDM4E (0.54) ALDH1A1SMN1; SMN2LMNACYP3A4CYP1A2

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-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 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
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