SCHEMBL4572276

SCHEMBL4572276

CNc1nc(C)nc(Nc2ccc(C)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA4 P22748 2/20 0.53
CA6 P23280 2/20 0.53
CA5A P35218 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA13 Q8N1Q1 2/20 0.53
CA14 Q9ULX7 2/20 0.53
LMNA P02545 3/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
KCNH3 Q9ULD8 1/20 0.50
APP P05067 2/20 0.46
TERT O14746 2/20 0.46
CA3 P07451 1/20 0.46
JAK2 O60674 1/20 0.45
NPY5R Q15761 1/20 0.45

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
SCHEMBL23999247 0.94 CA12 (0.58) CA12CA1CA2CA4CA6
SCHEMBL14582063 0.92 RAB9A (0.56) LMNAGAARAB9ANPC1KCNH3
SCHEMBL12253181 0.85 NPC1 (0.61) LMNAGAARAB9ANPC1KCNH3
SCHEMBL14445558 0.85 CA12 (0.50) CA12CA1CA2CA4CA6
SCHEMBL4569978 0.85 LMNA (0.71) CA12CA1CA2CA4CA6
SCHEMBL14097193 0.81 RAB9A (0.51) LMNARAB9ANPC1KCNH3APP
SCHEMBL23999258 0.81 CA12 (0.61) CA12CA1CA2CA4CA6
SCHEMBL17714638 0.81 IDH2 (0.44) CA12CA1CA2CA4CA6
SCHEMBL12567872 0.80 NPC1 (0.63) CA12CA1CA2CA4CA6
SCHEMBL4572354 0.79 NPC1 (0.66) LMNARAB9ANPC1APPJAK2

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
US-20120118205-A1 SELF-DISPERSED PIGMENTS AND METHODS FOR MAKING AND USING THE SAME SENSIENT COLORS INC. 2012-05-17 US disclosed