SCHEMBL11799200

SCHEMBL11799200

O=S(=O)(O)N=Nc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.49
▸ CYP1A2 P05177 7/20 0.48
▸ HIF1A Q16665 3/20 0.48
▸ CYP2C9 P11712 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ PTPRA P18433 1/20 0.48
▸ PTPRB P23467 1/20 0.48
▸ RAPGEF4 Q8WZA2 1/20 0.48
▸ HPGD P15428 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ CTRB1 P17538 1/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ DNASE1L3 Q13609 1/20 0.44
▸ SENP2 Q9HC62 1/20 0.43
▸ SENP1 Q9P0U3 1/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ CCNE2 O96020 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
SCHEMBL11799191 1.00 PTPN11 (0.49) PTPN11CYP1A2HIF1ACYP2C9HSD17B10
SCHEMBL153241 0.81 CYP1A2 (0.46) PTPN11CYP1A2HIF1ACYP2C9HSD17B10
SCHEMBL2915678 0.81 CYP1A2 (0.46) PTPN11CYP1A2HIF1ACYP2C9HSD17B10
SCHEMBL11883462 0.79 CYP1A2 (0.58) PTPN11CYP1A2HIF1ACYP2C9HSD17B10
SCHEMBL27754407 0.77 CCNE2 (0.43) PTPN11CYP1A2HIF1ACYP2C9HSD17B10
SCHEMBL2291745 0.77 CYP1A2 (0.58) CYP1A2HIF1ACYP2C9HSD17B10CYP2C19
SCHEMBL7650795 0.77 CYP1A2 (0.58) CYP1A2HIF1ACYP2C9HSD17B10CYP2C19
SCHEMBL11795223 0.76 PTPN11 (0.40) PTPN11CYP1A2HIF1ACYP2C9HSD17B10
SCHEMBL3486861 0.76 CTRB1 (0.76) PTPN11CYP1A2HIF1ACYP2C9HSD17B10
Benzene SCHEMBL7716364 0.75 CYP1A2 (0.56) CYP1A2HIF1ACYP2C9HSD17B10CYP2C19

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
US-4061627-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1977-12-06 — — US disclosed
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