SCHEMBL10622326

SCHEMBL10622326

O=C(Nc1ccnnc1)NC1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 12/20 0.70
▸ POLB P06746 1/20 0.68
▸ RAB9A P51151 10/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ EPHX2 P34913 3/20 0.60
▸ NPC1 O15118 8/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ HTT P42858 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54

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
SCHEMBL10625534 1.00 EPHX1 (0.70) EPHX1POLBRAB9ASMN1; SMN2EPHX2
SCHEMBL10622356 0.98 EPHX1 (0.68) EPHX1POLBRAB9ASMN1; SMN2EPHX2
SCHEMBL5641433 0.83 EPHX1 (1.00) EPHX1POLBRAB9ASMN1; SMN2EPHX2
SCHEMBL13756244 0.80 EPHX1 (0.86) EPHX1RAB9ASMN1; SMN2EPHX2NPC1
SCHEMBL13756248 0.78 EPHX1 (0.83) EPHX1RAB9ASMN1; SMN2EPHX2NPC1
SCHEMBL812273 0.76 RAB9A (1.00) EPHX1POLBRAB9ASMN1; SMN2EPHX2
SCHEMBL4266873 0.76 RAB9A (1.00) EPHX1POLBRAB9ASMN1; SMN2EPHX2
SCHEMBL9599607 0.75 EPHX1 (0.65) EPHX1POLBRAB9ASMN1; SMN2EPHX2
SCHEMBL10669957 0.75 POLB (0.59) EPHX1POLBRAB9ASMN1; SMN2EPHX2
SCHEMBL10678103 0.75 POLB (0.59) EPHX1POLBRAB9ASMN1; SMN2EPHX2

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-4728355-A RETARDING SENESCENCE IN SOYBEANS AND COTTON FMC CORPORATION (US) 1988-03-01 — — US claimed
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