SCHEMBL8542258

SCHEMBL8542258

OC(c1ccccc1)(c1ccncc1)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
CYP19A1 P11511 4/20 0.43
USP2 O75604 1/20 0.43
RAB9A P51151 1/20 0.43
AHR P35869 1/20 0.41
RGS12 O14924 1/20 0.39
KIF11 P52732 3/20 0.38
RORC P51449 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CFTR P13569 1/20 0.37
GOPC Q9HD26 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
SMN1; SMN2 Q16637 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 0.91 RGS12 (0.43) CNR1CYP19A1RGS12KIF11KMT2A
SCHEMBL11631884 0.87 CYP19A1 (0.51) CNR1CYP19A1
SCHEMBL2390466 0.87 RGS12 (0.43) CNR1CYP19A1RGS12KIF11KMT2A
SCHEMBL12264124 0.81 USP2 (0.46) CNR1CYP19A1USP2RAB9ARGS12
SCHEMBL812727 0.80 CYP19A1 (0.61) CYP19A1USP2RAB9AAHRKIF11
SCHEMBL8986568 0.80 CYP19A1 (0.61) CYP19A1USP2RAB9AAHRKIF11
SCHEMBL12264149 0.75 KCNN4 (0.47) CNR1CYP19A1USP2RAB9ARGS12
SCHEMBL11392766 0.72 CYP19A1 (0.57) CYP19A1USP2RAB9AAHRKIF11
SCHEMBL3906605 0.72 RGS12 (0.44) CNR1RGS12KIF11KMT2ACHRM2
SCHEMBL11405186 0.70 CYP19A1 (0.57) CYP19A1USP2RAB9AAHRRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5827501-A INERT TRIARYLMETHYL FREE RADICAL CONTRAST AGENTS FOR ELECTRON SPIN RESONANCE (ESR) ENHANCED MAGNETIC RESONANCE (EMR) IMAGING NYCOMED IMAGING AS (NO) 1998-10-27 US disclosed
US-5599522-A CONTRAST ENHANCING AGENTS NYCOMED IMAGING AS (NO) 1997-02-04 US disclosed
EP-0515458-B1 TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI NYCOMED INNOVATION AB (SE) 1995-08-23 EP disclosed
EP-0515458-A1 TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI. HAFSLUND NYCOMED INNOVATION (SE) 1992-12-02 EP disclosed
WO-1991012024-A1 TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI HAFSLUND NYCOMED INNOVATION AB (SE) 1991-08-22 WO disclosed