SCHEMBL26964492

SCHEMBL26964492

O=C(O)c1c(N=Nc2ccccc2S(=O)(=O)O)ccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 1/20 0.52
▸ MPL P40238 3/20 0.47
▸ CTRC Q99895 2/20 0.47
▸ CYP1A2 P05177 8/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HIF1A Q16665 4/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ STAT6 P42226 1/20 0.45
▸ METAP2 P50579 2/20 0.44
▸ METAP1 P53582 1/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL14081232 0.81 CTRB1 (0.76) CTRB1MPLCTRCCYP1A2ALDH1A1
SCHEMBL11883462 0.81 CYP1A2 (0.58) CTRB1MPLCTRCCYP1A2ALDH1A1
SCHEMBL32674394 0.79 ALDH1A1 (0.58) CTRB1MPLCTRCCYP1A2ALDH1A1
SCHEMBL3178846 0.79 ALDH1A1 (0.58) CTRB1MPLCTRCCYP1A2ALDH1A1
SCHEMBL21724748 0.77 ALDH1A1 (0.56) CTRB1MPLCTRCCYP1A2ALDH1A1
SCHEMBL22372332 0.77 ALDH1A1 (0.56) CTRB1MPLCTRCCYP1A2ALDH1A1
SCHEMBL11884950 0.77 CTRB1 (0.51) CTRB1MPLCTRCCYP1A2ALDH1A1
SCHEMBL3790419 0.76 CYP1A2 (0.50) CTRB1MPLCTRCCYP1A2ALDH1A1
SCHEMBL31183028 0.76 MPL (0.71) CTRB1MPLCTRCCYP1A2ALDH1A1
SCHEMBL4532468 0.76 MPL (0.71) CTRB1MPLCTRCCYP1A2ALDH1A1

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
EP-3876897-B1 RED COLORANT FREE OF COCHINEAL RED AND COMPOSITIONS COMPRISING THE SAME UNILEVER GLOBAL IP LTD (GB) 2023-12-20 — — EP claimed
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