SCHEMBL12264124

SCHEMBL12264124

OC(c1ccccc1)(c1ccc(F)cc1)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
RAB9A P51151 1/20 0.46
KCNN4 O15554 3/20 0.42
CNR1 P21554 1/20 0.41
CYP19A1 P11511 4/20 0.40
NR1H2 P55055 1/20 0.39
RGS12 O14924 1/20 0.38
KIF11 P52732 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2390819 0.89 RGS12 (0.43) KCNN4CNR1CYP19A1NR1H2RGS12
SCHEMBL2390466 0.85 RGS12 (0.43) KCNN4CNR1CYP19A1NR1H2RGS12
SCHEMBL8542258 0.81 CNR1 (0.44) USP2RAB9ACNR1CYP19A1RGS12
SCHEMBL1443989 0.79 RAB9A (0.61) USP2RAB9AKCNN4CYP19A1KIF11
SCHEMBL813148 0.79 RAB9A (0.61) USP2RAB9AKCNN4CYP19A1KIF11
Hydrochloric Acid SCHEMBL19583319 0.77 USP2 (0.55) USP2RAB9AKCNN4CYP19A1KIF11
SCHEMBL11631884 0.76 CYP19A1 (0.51) CNR1CYP19A1CYP3A4CYP2C9CYP2C19
SCHEMBL12264149 0.73 KCNN4 (0.47) USP2RAB9AKCNN4CNR1CYP19A1
SCHEMBL28473076 0.73 RAB9A (0.36) USP2RAB9AKCNN4CNR1CYP19A1
SCHEMBL7442397 0.73 USP2 (0.85) USP2RAB9AKCNN4CYP19A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026263-B2 Methods for inhibiting neoproliferative changes in blood vessel walls THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-27 US disclosed
US-8026263-B2 Methods for inhibiting neoproliferative changes in blood vessel walls THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-27 US disclosed
US-7235577-B1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-26 US disclosed
US-7235577-B1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-26 US disclosed