SCHEMBL7760840

SCHEMBL7760840

O=C(Nc1ccc2c(c1)CCC2)c1cc([N+](=O)[O-])ccc1-c1cccs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.55
▸ RAB9A P51151 8/20 0.55
▸ MAPT P10636 6/20 0.55
▸ NFKB1 P19838 4/20 0.55
▸ NFKB2 Q00653 4/20 0.55
▸ RELA Q04206 4/20 0.55
▸ LMNA P02545 1/20 0.55
▸ KMT2A Q03164 6/20 0.54
▸ MEN1 O00255 5/20 0.54
▸ POLB P06746 3/20 0.54
▸ ALDH1A1 P00352 7/20 0.53
▸ ATM Q13315 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ TP53 P04637 3/20 0.47
▸ HTT P42858 3/20 0.47
▸ GAA P10253 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43

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
SCHEMBL7762519 1.00 NPC1 (0.55) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL7760852 0.83 NPC1 (0.59) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL27656580 0.80 NPC1 (0.61) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL7760831 0.79 NPC1 (0.64) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL7762511 0.79 NPC1 (0.64) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL5061932 0.74 EIF4E (0.49) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL6229393 0.72 NPC1 (1.00) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL6316860 0.69 RAB9A (0.57) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL3456470 0.69 NPC1 (1.00) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL11665288 0.68 PTPRC (0.50) NPC1RAB9AMAPTLMNAKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097129-A1 N-BENZOCYCLOALKYL-AMIDE DERIVATIVES AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2001-05-09 — — EP disclosed
US-6197798-B1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN NOVARTIS AG (CH) 2001-03-06 — — US disclosed
WO-2000005201-A1 N-BENZOCYCLOALKYL-AMIDE DERIVATIVES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2000-02-03 — — WO disclosed
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