SCHEMBL20739605

SCHEMBL20739605

C/C(=N\O)c1ccc(C(=O)N2CCC(N)(CO)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 7/20 0.46
▸ POLB P06746 1/20 0.41
▸ GABRD O14764 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ GABRA4 P48169 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ITGB3 P05106 2/20 0.39
▸ ITGA2B P08514 2/20 0.39

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
SCHEMBL23384529 0.86 HSD11B1 (0.45) S1PR1POLBGABRDGABRA1GABRB1
SCHEMBL23384398 0.83 ITGB3 (0.46) S1PR1POLBGABRDGABRA1GABRB1
SCHEMBL20739480 0.78 S1PR1 (0.44) S1PR1POLBGABRDGABRA1GABRB1
SCHEMBL23357637 0.76 S1PR1 (0.77) S1PR1
SCHEMBL23384623 0.76 S1PR1 (0.77) S1PR1
SCHEMBL23384545 0.76 S1PR1 (0.42) S1PR1POLBGABRDGABRA1GABRB1
SCHEMBL20739606 0.72 HPGD (0.51) POLBCA12CA1CA2CA7
SCHEMBL20722178 0.72 HPGD (0.51) POLBCA12CA1CA2CA7
SCHEMBL20722166 0.71 S1PR1 (0.77) S1PR1
SCHEMBL23384541 0.71 S1PR1 (0.41) S1PR1GABRDGABRA1GABRB1GABRA5

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
WO-2019032631-A1 OXIME ETHER COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-14 — — WO disclosed
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