SCHEMBL9987145

SCHEMBL9987145

CC(C)(CC(N)(Cc1nc2ccccc2[nH]1)C(F)(F)F)c1[c]ccc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.37
CYP1A2 P05177 2/20 0.35
MAPT P10636 2/20 0.35
CYP2C9 P11712 1/20 0.35
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 2/20 0.34
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL448531 0.81 DDAH1 (0.42) DDAH1CYP1A2CYP2C9POLBPKM
SCHEMBL293984 0.80 NR3C1 (0.47) MAPTPKMLMNAGAAHTT
SCHEMBL292904 0.77 DDAH1 (0.42) DDAH1CYP1A2CYP2C9POLBPKM
SCHEMBL292461 0.72 NR3C1 (0.48) CYP3A4
SCHEMBL4562346 0.71 DDAH1 (0.59) DDAH1CYP1A2MAPTCYP2C9POLB
SCHEMBL10761755 0.68 DDAH1 (0.61) DDAH1CYP1A2MAPTCYP2C9POLB
SCHEMBL14340588 0.67 NR3C1 (0.61) CYP3A4
SCHEMBL1633594 0.65 NR3C1 (0.69)
SCHEMBL2277460 0.65 DDAH1 (0.59) DDAH1CYP1A2CYP2C9POLBPKM
SCHEMBL30679038 0.65 DDAH1 (0.59) DDAH1CYP1A2CYP2C9POLBPKM

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
EP-2397140-A1 Compositions and methods for treating or preventing glaucoma or progression thereof BAUSCH & LOMB INCORPORATED (US) 2011-12-21 EP disclosed