SCHEMBL9255896

SCHEMBL9255896

O=c1[nH]cnnc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ KDM4E B2RXH2 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ ATM Q13315 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAPT P10636 3/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ DYRK1A Q13627 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ XDH P47989 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ PDPK1 O15530 1/20 0.39

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
SCHEMBL2491046 0.70 MTOR (0.45) RAB9ANPC1KDM4EALDH1A1GAA
Biphenyl SCHEMBL7323276 0.69 NOTUM (0.44) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL13946583 0.69 KDM4E (0.54) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL15614434 0.69 ALDH1A1 (0.54) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL7322868 0.68 NPC1 (1.00) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL5065569 0.68 MTOR (0.53) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL2901740 0.67 NPC1 (0.65) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL19205427 0.67 PDGFRB (0.64) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL10436160 0.67 NPC1 (0.65) RAB9ANPC1KDM4EALDH1A1HPGD
Biphenyl SCHEMBL27637499 0.63 ALDH1A1 (0.53) RAB9ANPC1KDM4EALDH1A1HSD17B10

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
EP-0639047-A1 HERBICIDAL COMPOSITIONS KVK AGRO A/S (DK) 1995-02-22 — — EP claimed
Send feedback