SCHEMBL6178417

SCHEMBL6178417

CCN(CC)c1nc(Nc2ccc(C)cc2[N+](=O)[O-])nc(N(CC)CC)n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.56
KAT2B Q92831 2/20 0.45
KCNMA1 Q12791 2/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
LMNA P02545 3/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.41
CFTR P13569 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 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
SCHEMBL6180773 0.86 RAB9A (0.55) RAB9AKCNMA1CA1CA2CA9
SCHEMBL6180141 0.84 AKR1C3 (0.54) RAB9AKCNMA1LMNAALDH1A1MAPK1
SCHEMBL6177283 0.83 RAB9A (0.60) RAB9ACA1CA2CA9GAA
SCHEMBL6178609 0.78 KCNMA1 (0.49) RAB9AKAT2BKCNMA1LMNACYP3A4
SCHEMBL6178509 0.78 CA1 (0.46) RAB9ACA1CA2CA9CFTR
SCHEMBL6178286 0.75 MAPT (0.49) KAT2BKCNMA1LMNACYP3A4TSHR
SCHEMBL6178801 0.75 MAPT (0.49) RAB9AKAT2BKCNMA1LMNACYP3A4
SCHEMBL6250970 0.70 KAT2B (0.66) RAB9AKAT2BKCNMA1LMNACYP3A4
SCHEMBL17546158 0.70 KAT2B (0.60) RAB9AKAT2BKCNMA1LMNACYP3A4
SCHEMBL17486820 0.69 MEN1 (0.69) RAB9AKAT2BKCNMA1LMNACYP3A4

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-1132387-B1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL FUNGICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2005-09-28 EP claimed