SCHEMBL9872701

SCHEMBL9872701

Cc1ccc(-c2cc(=O)c3c(C(F)(F)F)cccc3[nH]2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.43
ALDH1A1 P00352 5/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 1/20 0.43
AHR P35869 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CTSV O60911 2/20 0.39
CTSL P07711 2/20 0.39
RAB9A P51151 1/20 0.39
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL9874829 0.85 HPGD (0.60) HPGDALDH1A1LMNAKDM4EMAPT
SCHEMBL9872054 0.85 HPGD (0.56) HPGDALDH1A1LMNAKDM4EMAPT
SCHEMBL9872630 0.83 CTSV (0.57) HPGDALDH1A1LMNAKDM4EMAPT
SCHEMBL9872034 0.80 KMT2A (0.56) HPGDALDH1A1LMNAKDM4EMAPT
SCHEMBL9874994 0.79 KDM4E (0.59) HPGDALDH1A1LMNAKDM4EMAPT
SCHEMBL9874866 0.77 NPC1 (0.47) HPGDALDH1A1LMNAKDM4EMEN1
SCHEMBL19032114 0.76 MAPT (0.49) HPGDALDH1A1LMNAKDM4EMAPT
SCHEMBL9872570 0.76 CYP19A1 (0.46) HPGDALDH1A1LMNAKDM4EMAPT
SCHEMBL9873449 0.75 HPGD (0.50) HPGDALDH1A1LMNAKDM4EPDE3B
SCHEMBL9874926 0.72 HPGD (0.60) HPGDALDH1A1LMNAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5017576-A Antianxiolytic, hypnotic, anticonvulsant, antiepileptic RHONE-POULENC SANTE (FR) 1991-05-21 US disclosed