SCHEMBL8694489

SCHEMBL8694489

OC(c1ccccc1)n1ccnc1-c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.41
▸ TP53 P04637 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ KDM4E B2RXH2 7/20 0.40
▸ LMNA P02545 4/20 0.39
▸ CCR1 P32246 2/20 0.39
▸ CCR5 P51681 2/20 0.39
▸ CCR8 P51685 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ METAP1 P53582 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ DOHH Q9BU89 1/20 0.39
▸ P4HTM Q9NXG6 1/20 0.39
▸ MET P08581 1/20 0.36
▸ L3MBTL1 Q9Y468 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ MAPT P10636 2/20 0.36

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
SCHEMBL170176 0.72 KDM4E (0.52) NPC1TP53SMN1; SMN2TSHRKDM4E
SCHEMBL1445518 0.68 SMN1; SMN2 (0.47) NPC1TP53SMN1; SMN2TSHRKDM4E
SCHEMBL1445699 0.67 KDM4E (0.50) NPC1TP53SMN1; SMN2TSHRKDM4E
SCHEMBL14465345 0.67 NPC1 (0.60) NPC1TP53SMN1; SMN2TSHRKDM4E
SCHEMBL17889739 0.67 RPS6KA5 (0.45) SMN1; SMN2KDM4ELMNAMETSLC6A4
SCHEMBL2839207 0.66 HSD17B10 (0.59) NPC1TP53SMN1; SMN2TSHRKDM4E
SCHEMBL6357965 0.65 TP53 (0.47) NPC1TP53SMN1; SMN2TSHRKDM4E
Dipyridyl SCHEMBL6885910 0.64 KDM4E (0.93) NPC1TP53SMN1; SMN2TSHRKDM4E
Dipyridyl SCHEMBL8655605 0.64 KDM4E (0.93) NPC1TP53SMN1; SMN2TSHRKDM4E
Dipyridyl SCHEMBL27971550 0.64 KDM4E (0.93) NPC1TP53SMN1; SMN2TSHRKDM4E

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-5753682-A Imidazole lipoxygenase inhibitors PFIZER INC. (US) 1998-05-19 — — US disclosed
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