SCHEMBL17488308

SCHEMBL17488308

Fc1cc(CNc2nc3ccc(NC4COC4)cc3[nH]2)ccc1Oc1ccc(Cl)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.40
PIM1 P11309 1/20 0.34
RIPK1 Q13546 1/20 0.34
P2RX3 P56373 5/20 0.33
RAB9A P51151 4/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.32
GFER P55789 1/20 0.32
HIF1A Q16665 1/20 0.32
KDR P35968 1/20 0.32
TEK Q02763 1/20 0.32

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
SCHEMBL17488102 0.91 RAB9A (0.36) GRM4RIPK1P2RX3RAB9ALMNA
SCHEMBL17488011 0.89 RIPK1 (0.37) RIPK1RAB9ALMNAMEN1KMT2A
SCHEMBL17488105 0.88 RAB9A (0.41) RIPK1P2RX3RAB9ALMNACYP1A2
SCHEMBL17488138 0.85 RAB9A (0.37) RIPK1RAB9ALMNAMEN1KMT2A
SCHEMBL17488013 0.85 RAB9A (0.39) RIPK1P2RX3RAB9ALMNACYP1A2
SCHEMBL17488304 0.83 GRM4 (0.43) GRM4PIM1P2RX3RAB9ALMNA
SCHEMBL18965841 0.82 CYP3A4 (0.38) GRM4P2RX3RAB9ALMNAKMT2A
SCHEMBL17488158 0.82 RIPK1 (0.35) RIPK1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL17487717 0.82 RAB9A (0.39) RIPK1RAB9ALMNAMEN1KMT2A
SCHEMBL17487676 0.81 CYP3A4 (0.36) P2RX3RAB9ALMNAMEN1KMT2A

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
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO disclosed