SCHEMBL9804119

SCHEMBL9804119

N=C(CCCCCCCCC(=N)NC1CCCCC1)NC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ HDAC3 O15379 2/20 0.48
▸ HDAC1 Q13547 2/20 0.48
▸ HDAC2 Q92769 2/20 0.48
▸ HDAC10 Q969S8 2/20 0.48
▸ HDAC11 Q96DB2 2/20 0.48
▸ HDAC8 Q9BY41 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ NCOR2 Q9Y618 1/20 0.48
▸ EPHX1 P07099 6/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ EPHX2 P34913 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL11592017 0.91 SIGMAR1 (0.54) EPHX1EPHX2SIGMAR1
SCHEMBL18571426 0.86 HDAC1 (0.51) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL25563633 0.86 HDAC1 (0.51) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL18571638 0.86 HDAC1 (0.51) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL20669088 0.86 HDAC1 (0.51) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL15189278 0.76 EPHX1 (0.46) SMN1; SMN2EPHX1ALDH1A1EPHX2CYP3A4
SCHEMBL3068845 0.74 SIGMAR1 (0.44) SMN1; SMN2EPHX1ALDH1A1EPHX2CYP3A4
SCHEMBL38658755 0.74 SMN1; SMN2 (0.91) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL15000355 0.74 HDAC1 (0.44) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL22860279 0.73 EPHX1 (0.42) SMN1; SMN2EPHX1ALDH1A1EPHX2CYP3A4

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
EP-0153616-B1 HEAT-SENSITIVE RECORDING MATERIALS KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1991-04-03 — — EP disclosed
EP-0153616-A2 Heat-sensitive recording materials KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1985-09-04 — — EP disclosed
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