SCHEMBL11799472

SCHEMBL11799472

NC1C(=O)c2cc3ccccc3nc2C=C1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ MAPT P10636 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ TP53 P04637 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ ATM Q13315 2/20 0.34
▸ HPGD P15428 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL71079 0.70 NPC1 (0.41) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL3133033 0.70 NPC1 (0.45) NPC1RAB9AMAPTALDH1A1MEN1
Hydrochloric Acid SCHEMBL1713917 0.69 NPC1 (0.41) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL1164959 0.69 RAB9A (0.44) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL11055771 0.69 NPC1 (0.44) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL4648988 0.68 NPC1 (0.40) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL354611 0.67 NPC1 (0.41) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL3735368 0.67 RAB9A (0.45) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL11799791 0.67 NPC1 (0.36) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL6238756 0.66 BTK (0.41) NPC1RAB9AMAPTALDH1A1MEN1

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-3973959-A Electrophotographic recording material and process for its manufacture HOECHST AKTIENGESELLSCHAFT (DT) 1976-08-10 — — US disclosed
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