SCHEMBL11554162

SCHEMBL11554162

CCCCCCCCCCCCN(CCCCCCCCCCCC)N=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.48
TSHR P16473 3/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
THRB P10828 1/20 0.42
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
GBA1 P04062 1/20 0.35
GGPS1 O95749 3/20 0.35
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
EPHX2 P34913 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
SCHEMBL10793051 1.00 DNM1 (0.48) DNM1TSHRCA12CA1CA2
SCHEMBL11416179 1.00 DNM1 (0.48) DNM1TSHRCA12CA1CA2
SCHEMBL896509 0.97 TSHR (0.48) DNM1TSHRCA12CA1CA2
SCHEMBL23477341 0.95 TSHR (0.46) DNM1TSHRCA12CA1CA2
SCHEMBL606730 0.89 TSHR (0.50) DNM1TSHRCA12CA1CA2
SCHEMBL4562415 0.87 TSHR (0.57) DNM1TSHRCA12CA1CA2
SCHEMBL10792995 0.84 TSHR (0.46) DNM1TSHRCA12CA1CA2
SCHEMBL870314 0.81 SMN1; SMN2 (0.46) DNM1TSHRCA12CA1CA2
SCHEMBL3341604 0.79
SCHEMBL15630544 0.78 ALDH1A1 (0.43) TSHRCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4161571-A GELATION INHIBITORS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-07-17 US disclosed
US-4080493-A POLYBUTADIENE, POLYISOPRENE, GELATION INHIBITOR SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-03-21 US disclosed