SCHEMBL13974376

SCHEMBL13974376

Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
RORC P51449 6/20 0.51
LMNA P02545 3/20 0.49
PPARG P37231 1/20 0.48
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
EPHX2 P34913 1/20 0.43

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
SCHEMBL18588560 0.93 L3MBTL1 (0.53) L3MBTL1LMNAMAPTHTTSMN1; SMN2
SCHEMBL13974868 0.86 RORC (0.54) RORCLMNAMAPTALDH1A1
SCHEMBL2471010 0.83 ALDH1A1 (0.55) RORCLMNAMAPTALDH1A1
SCHEMBL13974411 0.82 RORC (0.65) RORCLMNAPPARGMAPTSMN1; SMN2
SCHEMBL18588569 0.81 HSD11B1 (0.56) RORCLMNAALDH1A1
SCHEMBL2472684 0.81 MAPT (0.59) LMNAMAPTALDH1A1
SCHEMBL18595635 0.79 RORC (0.60) RORCPPARGMAPTSMN1; SMN2ALDH1A1
SCHEMBL13974921 0.77 RORC (0.60) L3MBTL1RORCPPARGALDH1A1
SCHEMBL15842097 0.76 RORC (0.68) RORCPPARGALDH1A1
SCHEMBL2472968 0.75 ALDH1A1 (0.63) L3MBTL1RORCLMNAPPARGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586928-B2 Modulators of the nuclear hormone receptor ROR THE SCRIPPS RESEARCH INSTITUTE (US) 2017-03-07 US disclosed
WO-2012158784-A2 MODULATORS OF THE NUCLEAR HORMONE RECEPTOR ROR KAMENECKA THEODORE MARK (US) 2012-11-22 WO disclosed