SCHEMBL6420028

SCHEMBL6420028

c1nc2c([nH]1)CCNC2CCC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
CDK2 P24941 4/20 0.34
CDK1 P06493 3/20 0.34
CCNB1 P14635 2/20 0.34
CCNA2 P20248 2/20 0.34
CCNA1 P78396 2/20 0.34
HTR3A P46098 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
IDO1 P14902 1/20 0.32
NFE2L2 Q16236 1/20 0.31
CCNB2 O95067 1/20 0.31
MAPK3 P27361 1/20 0.31
CLK1 P49759 1/20 0.31
CDK5 Q00535 1/20 0.31
PIN1 Q13526 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
MAP3K5 Q99683 1/20 0.31

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
SCHEMBL11516141 0.73 RAB9A (0.49) RAB9ALMNAALDH1A1POLB
SCHEMBL8819209 0.72 RAB9A (0.46) RAB9ALMNAALDH1A1POLB
Hydrochloric Acid SCHEMBL7528704 0.69 RAB9A (0.58) RAB9ALMNAALDH1A1POLB
SCHEMBL4004258 0.66 RAB9A (0.56) RAB9ALMNAALDH1A1POLB
SCHEMBL4762153 0.66 RAB9A (0.51) RAB9ALMNAALDH1A1POLB
Hydrochloric Acid SCHEMBL7529821 0.65 RAB9A (0.54) RAB9ALMNAALDH1A1POLB
Hydrochloric Acid SCHEMBL16038162 0.65 RAB9A (0.50) RAB9ALMNAALDH1A1POLB
SCHEMBL3441643 0.62 RAB9A (1.00) RAB9ALMNAALDH1A1POLB
Hydrochloric Acid SCHEMBL1978418 0.62 RAB9A (0.50) RAB9ALMNAALDH1A1POLB
SCHEMBL6846885 0.62 RAB9A (0.36) RAB9ALMNAALDH1A1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908926-B1 Substituted imidazoles, their preparation and use NOVO NORDISK A/S (DK) 2005-06-21 US disclosed
EP-1173438-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2002-01-23 EP disclosed
WO-2000063208-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 WO disclosed