SCHEMBL11818505

SCHEMBL11818505

O=C(O)c1cc(SCc2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ CYP2D6 P10635 1/20 0.41
▸ POLB P06746 3/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ SRD5A2 P31213 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ SLC29A1 Q99808 1/20 0.40
▸ MMP1 P03956 1/20 0.40

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
SCHEMBL11820145 0.87 MEN1 (0.46) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL11810807 0.84 ALDH1A1 (0.41) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL11820578 0.83 ALDH1A1 (0.45) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL11815653 0.83 LMNA (0.56) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL31273836 0.78 TDP1 (0.64) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL11825039 0.78 DAO (0.53) MAPTPOLBALDH1A1SRD5A2
SCHEMBL6794925 0.77 ALDH1A1 (0.51) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL11821792 0.77 MAPT (0.48) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL11815710 0.76 MEN1 (0.48) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL11820878 0.76 GSTP1 (0.47) MEN1KMT2ACYP3A4CYP2C9CYP2C19

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-3954994-A Intermediates for preparing hipolipemic agents and method of lowering the blood lipid level in mammals with said agents PFIZER INC. (US) 1976-05-04 — — US disclosed
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