SCHEMBL11700474

SCHEMBL11700474

O=C(Nc1nc2ccccc2[nH]1)Oc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.65
NPC1 O15118 10/20 0.65
SMN1; SMN2 Q16637 6/20 0.65
ALDH1A1 P00352 2/20 0.65
TP53 P04637 2/20 0.65
ALOX12 P18054 1/20 0.65
PKM P14618 5/20 0.62
MAOB P27338 1/20 0.62
ADORA2A P29274 1/20 0.62
LMNA P02545 4/20 0.61
CYP3A4 P08684 1/20 0.61
HSD17B10 Q99714 2/20 0.58
MAPK1 P28482 1/20 0.58
SCD O00767 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 1/20 0.55
GAA P10253 1/20 0.53
OPRK1 P41145 1/20 0.53
KLF5 Q13887 1/20 0.53

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
SCHEMBL19819818 0.85 NPC1 (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
Carbendazim SCHEMBL29357746 0.83 LMNA (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
Carbendazim SCHEMBL8427009 0.83 LMNA (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
Carbendazim SCHEMBL21051 0.83 LMNA (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL13763458 0.83 LMNA (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
Carbendazim SCHEMBL74664 0.82 LMNA (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
Carbendazim SCHEMBL11360169 0.82 LMNA (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL28189904 0.82 CYP3A4 (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
Carbendazim SCHEMBL8716640 0.82 LMNA (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
Carbendazim SCHEMBL5449176 0.82 LMNA (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1TP53

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
US-4053598-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-11 US disclosed
US-4026934-A INSECTICIDES, ACARICIDES, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 US disclosed
US-3933846-A FUNGICIDES, OVICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 US disclosed