SCHEMBL9505597

SCHEMBL9505597

CC1CCC(C(C)C)C(Oc2cc([N+](=O)[O-])ccc2NS(=O)(=O)C(F)(F)F)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.48
MEN1 O00255 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 2/20 0.47
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PTGES O14684 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47
SERPINE1 P05121 5/20 0.43
SCN9A Q15858 1/20 0.42
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40

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
SCHEMBL9502705 0.88 CYP19A1 (0.62) CYP19A1MEN1CYP1A2CYP3A4MAPT
SCHEMBL9502643 0.78 CYP19A1 (0.73) CYP19A1MEN1CYP1A2CYP3A4MAPT
SCHEMBL9501964 0.77 CYP19A1 (0.73) CYP19A1MEN1CYP1A2CYP3A4MAPT
SCHEMBL9502671 0.76 CYP19A1 (0.72) CYP19A1MEN1CYP1A2CYP3A4MAPT
SCHEMBL9502689 0.76 CYP19A1 (0.72) CYP19A1MEN1CYP1A2CYP3A4MAPT
SCHEMBL9502677 0.76 CYP19A1 (0.72) CYP19A1MEN1CYP1A2CYP3A4MAPT
SCHEMBL9501585 0.75 CYP19A1 (0.59) CYP19A1MEN1CYP1A2CYP3A4MAPT
SCHEMBL10771885 0.72 ALDH1A1 (0.45) CYP19A1KMT2ASMN1; SMN2ALDH1A1SERPINE1
SCHEMBL7265892 0.71 SERPINE1 (0.60) KMT2ASMN1; SMN2ALDH1A1SERPINE1
SCHEMBL9504750 0.70 CYP19A1 (0.82) CYP19A1MEN1CYP1A2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0317332-B1 SULFONANILIDE COMPOUNDS TAISHO PHARMACEUTICAL CO. LTD (JP) 1993-05-19 EP disclosed
US-4885367-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS; SIDE EFFECT REDUCTION TAISHO PHARMACEUTICAL CO., LTD. (JP) 1989-12-05 US disclosed
EP-0317332-A2 Sulfonanilide compounds TAISHO PHARMACEUTICAL CO. LTD (JP) 1989-05-24 EP disclosed