SCHEMBL7148548

SCHEMBL7148548

COc1cccc(SC(C=O)c2ccc(F)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.44
KMT2A Q03164 1/20 0.43
MTNR1A P48039 9/20 0.42
MTNR1B P49286 9/20 0.42
MAOB P27338 1/20 0.40
MGLL Q99685 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TERT O14746 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TACR1 P25103 1/20 0.37

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
SCHEMBL20425444 0.86 MTNR1A (0.42) KMT2AMTNR1AMTNR1BMAOBNPC1
SCHEMBL1515892 0.74 NFE2L2 (0.49) NFE2L2KMT2AMAOBMGLLSMN1; SMN2
SCHEMBL8487888 0.72 ATM (0.43) NFE2L2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9401354 0.71 GAA (0.39) SMN1; SMN2
SCHEMBL10297508 0.69 MTNR1A (0.55) MTNR1AMTNR1BALDH1A1
SCHEMBL3817562 0.69 NPSR1 (0.42) KMT2AMAOBNPC1RAB9AALDH1A1
SCHEMBL9621618 0.69 MTNR1A (0.59) MTNR1AMTNR1BTERTALDH1A1
SCHEMBL8190479 0.67 MTNR1A (0.46) KMT2AMTNR1AMTNR1BNPC1RAB9A
1,3-Dimethoxybenzene SCHEMBL27445411 0.67 MAOB (0.65) NFE2L2MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL6991476 0.66 MAOB (0.51) NFE2L2KMT2AMAOBMGLLNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2912033-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS The Board of Trustees of the University of Illinois (US) 2015-09-02 EP disclosed
EP-2911660-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS The Board of Trustees of the University of Illinois (US) 2015-09-02 EP disclosed
WO-2014066695-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-05-01 WO disclosed
WO-2014066692-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-05-01 WO disclosed
EP-1334094-A1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-13 EP disclosed
WO-2002036584-A1 CHOLESTEROL LOWERING BENZO`B! THIOPHENES AND BENZO`D! ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-10 WO disclosed