SCHEMBL6768893

SCHEMBL6768893

COc1ccc(Sc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
SMN1; SMN2 Q16637 7/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 8/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 7/20 0.38
MAPK1 P28482 3/20 0.38
TSHR P16473 1/20 0.38
PDE7A Q13946 2/20 0.37
HTT P42858 4/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL28664582 0.79 ALDH1A1 (0.35) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL30083014 0.79 ALDH1A1 (0.35) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL15902847 0.78 MAPK1 (0.51) MAPTSMN1; SMN2HPGDLMNATDP1
SCHEMBL29965642 0.77 MAPK1 (0.39) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL23663468 0.77 MAPK1 (0.39) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL5327698 0.77 RORC (0.62) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL7590825 0.76 MAPK1 (0.47) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL2962266 0.75 SMN1; SMN2 (0.60) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL2036320 0.73 ALDH1A1 (0.50) MAPTSMN1; SMN2HPGDCYP3A4LMNA
SCHEMBL2033024 0.73 PDE7A (0.49) MAPTSMN1; SMN2RAB9ALMNATDP1

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-6723717-B1 CARDIAC-SPARING; SIDE EFFECT REDUCTION THE UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER 2004-04-20 US disclosed