SCHEMBL11260129

SCHEMBL11260129

CCCCNC(=O)c1ncc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NAAA Q02083 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GPR84 Q9NQS5 2/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
GAA P10253 1/20 0.40
HSPA5 P11021 1/20 0.40

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
SCHEMBL5579468 0.95 NAAA (0.51) HTTTSHRKDM4ENAAASMN1; SMN2
SCHEMBL8747369 0.94 NAAA (0.54) KDM4ENAAASMN1; SMN2GPR84HPGD
SCHEMBL6663162 0.90 NPC1 (0.42) KDM4ENAAASMN1; SMN2NPC1RAB9A
SCHEMBL2428932 0.83 NPC1 (0.45) HTTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL22534026 0.83 NPC1 (0.38) KDM4ENAAASMN1; SMN2NPC1RAB9A
SCHEMBL26529206 0.81 NEK1 (0.46) HTTKDM4EHPGDNPC1RAB9A
SCHEMBL10336338 0.81 PAOX (0.42) KDM4ENAAA
SCHEMBL22372064 0.81 HPGD (0.44) KDM4ESMN1; SMN2HPGDNPC1RAB9A
SCHEMBL15874865 0.80 PRMT5 (0.37) SMN1; SMN2NPC1RAB9AHSPA5
SCHEMBL26528219 0.78 SMN1; SMN2 (0.45) TSHRKDM4ESMN1; SMN2NPC1RAB9A

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-4350520-A IMIDAZOLE-2-CARBOXAMIDE BAYER AKTIENGESELLSCHAFT (DE) 1982-09-21 US claimed
US-4350520-A IMIDAZOLE-2-CARBOXAMIDE BAYER AKTIENGESELLSCHAFT (DE) 1982-09-21 US disclosed