SCHEMBL20740201

SCHEMBL20740201

[CH2]CNC(=O)Nc1ccc(CCNC(=N)N)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 12/20 0.56
▸ KDM4E B2RXH2 2/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CA2 P00918 2/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ FPR2 P25090 3/20 0.47

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
SCHEMBL24892365 0.79 ST14 (0.55) CNR1KDM4EHDAC1HDAC2NPC1
SCHEMBL16323668 0.79 CNR1 (0.49) CNR1KDM4EHDAC1HDAC2L3MBTL1
SCHEMBL24892106 0.77 ALDH1A1 (0.46) CNR1KDM4EHDAC1HDAC2L3MBTL1
SCHEMBL24670339 0.75 TRPV1 (0.50) KDM4EHDAC1HDAC2NPC1RAB9A
SCHEMBL24892109 0.75 NPC1 (0.60) CNR1KDM4EL3MBTL1NPC1RAB9A
SCHEMBL30503474 0.73 ST14 (0.63) KDM4EHDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL26005420 0.73 ST14 (0.46) CNR1KDM4ESMN1; SMN2CA2CA12
SCHEMBL24891768 0.73 ST14 (0.48) CNR1NPC1
SCHEMBL24892100 0.73 S1PR1 (0.47) CNR1KDM4EL3MBTL1NPC1RAB9A
SCHEMBL16605520 0.72 KMT2A (0.53) CNR1NPC1RAB9ASMN1; SMN2CA2

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
EP-3010883-B1 PROCESS FOR PREPARING GUANIDINO-FUNCTIONAL MONOMERS 3M INNOVATIVE PROPERTIES CO (US) 2019-02-20 — — EP disclosed
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