SCHEMBL8620472

SCHEMBL8620472

[CH2]Oc1nc2ccc(C)cc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.58
MAPT P10636 5/20 0.58
NPC1 O15118 6/20 0.49
APP P05067 5/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 2/20 0.47
DYRK1A Q13627 1/20 0.47
F2RL3 Q96RI0 2/20 0.47
SNCA P37840 1/20 0.46
TP53 P04637 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
PTPN1 P18031 1/20 0.43
PKM P14618 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACP1 P24666 1/20 0.41

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
SCHEMBL9234946 0.85 RAB9A (0.58) RAB9AMAPTNPC1APPKDM4E
SCHEMBL9415494 0.83 RAB9A (0.51) RAB9AMAPTNPC1APPKDM4E
SCHEMBL9415493 0.81 RAB9A (0.53) RAB9AMAPTNPC1APPKDM4E
SCHEMBL21471191 0.77 CYP1A2 (0.49) RAB9AMAPTNPC1APPF2RL3
SCHEMBL27365085 0.77 RAB9A (0.61) RAB9AMAPTNPC1APPKDM4E
SCHEMBL84327 0.76 SMN1; SMN2 (0.66) RAB9AMAPTNPC1APPKDM4E
SCHEMBL13444809 0.76 MAPT (0.69) RAB9AMAPTNPC1APPKDM4E
SCHEMBL30542465 0.76 SMN1; SMN2 (0.66) RAB9AMAPTNPC1APPKDM4E
SCHEMBL1638573 0.75 RAB9A (0.63) RAB9AMAPTNPC1APPKDM4E
SCHEMBL25165513 0.73 RAB9A (0.61) RAB9AMAPTNPC1APPKDM4E

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-5594020-A FUNGICIDE BASF AKTIENGESELLSCHAFT (DE) 1997-01-14 US claimed
US-5719171-A INSECTICIDES; MITICIDES; NEMATOCIDES; FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
US-5594020-A FUNGICIDE BASF AKTIENGESELLSCHAFT (DE) 1997-01-14 US disclosed