SCHEMBL8801902

SCHEMBL8801902

O=C(c1ccncc1)c1ccc(F)cc1F

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.61
CES2 O00748 3/20 0.55
CES1 P23141 3/20 0.55
KMT2A Q03164 3/20 0.48
HTT P42858 2/20 0.46
MAPK14 Q16539 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 1/20 0.44
KLK7 P49862 1/20 0.44
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CHRM4 P08173 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SNCA P37840 1/20 0.41
NAPRT Q6XQN6 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
SCHEMBL9037143 0.86 LTA4H (0.61) LTA4HCES2CES1KMT2AHTT
SCHEMBL8609990 0.85 CES2 (0.63) LTA4HCES2CES1KMT2AHTT
SCHEMBL29880739 0.85 CES2 (0.63) LTA4HCES2CES1KMT2AHTT
SCHEMBL10112157 0.83 LMNA (0.58) LTA4HKMT2AMEN1MAPTLMNA
SCHEMBL7401884 0.83 LTA4H (0.49) LTA4HKMT2AHTTMEN1MAPT
SCHEMBL16977349 0.82 LTA4H (0.61) LTA4HCES2CES1KMT2AHTT
SCHEMBL29765677 0.81 CES2 (0.59) CES2CES1KMT2AMAPK14MEN1
SCHEMBL158348 0.81 CES2 (0.59) CES2CES1KMT2AMAPK14MEN1
SCHEMBL14431511 0.81 CES2 (0.59) CES2CES1KMT2AHTTMAPK14
SCHEMBL13291390 0.80 CES2 (0.74) CES2CES1KMT2AHTTMAPK14

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-0695751-B1 AGENT ACTING ON THE CENTRAL NERVOUS SYSTEM, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT VITA INVEST SA (ES) 1997-03-26 EP disclosed
EP-0695751-A1 AGENT ACTING ON THE CENTRAL NERVOUS SYSTEM, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT VITA-INVEST, S.A. (ES) 1996-02-07 EP disclosed
CN-86101906-A Process for preparing 1, 2 benzisoxazol-3-yl and 1, 2 benzisothiazol-3-yl derivatives 1986-10-01 CN disclosed