SCHEMBL7329911

SCHEMBL7329911

O=C1c2ccccc2C(=O)N1c1ccc2ccc(F)nc2n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
ALPL P05186 5/20 0.38
AR P10275 2/20 0.38
POLB P06746 1/20 0.37
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL7329332 0.81 MEN1 (0.42) ALDH1A1KDM4EGAAALPLAR
SCHEMBL14336359 0.81 RECQL (0.42) ALDH1A1KDM4EGAAALPLAR
SCHEMBL5201507 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EGAAALPLAR
SCHEMBL5200701 0.77 KDM4E (0.54) ALDH1A1KDM4EGAAPOLBHTT
SCHEMBL10472405 0.77 POLB (0.37) ALDH1A1KDM4EGAAALPLAR
SCHEMBL10472768 0.75 ALDH1A1 (0.37) ALDH1A1KDM4EGAAPOLBHSD17B10
SCHEMBL7326712 0.75 RAB9A (0.53) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL30046397 0.73 HTR1A (0.51) ALDH1A1KDM4EGAAPOLBHTT
SCHEMBL11548784 0.73 HTR1A (0.51) ALDH1A1KDM4EGAAPOLBHTT
SCHEMBL15091185 0.68 ALDH1A1 (0.40) ALDH1A1KDM4EGAAALPLAR

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-5102890-A Anxiolytic agents RHONE-POULENC SANTE (FR) 1992-04-07 US disclosed
US-4960779-A Pyrrole derivatives, and pharmaceutical compositions which contain them and pharmacological methods of use RHONE-POULENC SANTE (FR) 1990-10-02 US disclosed
US-4016274-A TRANQUILIZERS AND ANTICONVULSANT AGENTS RHONE-POULENC S.A. (FR) 1977-04-05 US disclosed