SCHEMBL8030765

SCHEMBL8030765

O=C(CSc1ccc([N+](=O)[O-])cc1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 7/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
ALOX12 P18054 1/20 0.43
POLB P06746 1/20 0.43
CRHBP P24387 1/20 0.43
CASP3 P42574 1/20 0.43
CRHR2 Q13324 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
IDO1 P14902 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
CES1 P23141 1/20 0.42

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
SCHEMBL877985 0.80 FFAR1 (0.57) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11212945 0.78 SMN1; SMN2 (0.58) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7224442 0.78 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11212940 0.78 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10498215 0.76 MAPT (0.47) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10814768 0.75 FFAR1 (0.61) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL7916730 0.75 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4808027 0.75 CES1 (0.56) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11876632 0.74 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5288477 0.74 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2

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-6160011-A Non-steroidal agonist compounds and their use in male hormone therapy THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2000-12-12 US disclosed