SCHEMBL11537014

SCHEMBL11537014

O=C(CCl)N1CCCc2cccc(O)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.50
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MITF O75030 1/20 0.42
NOTUM Q6P988 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
SPR P35270 1/20 0.40
GAA P10253 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL342396 0.84 L3MBTL1 (0.54) RAB9ANPC1MAPTNPSR1ALDH1A1
SCHEMBL17544697 0.80 NOTUM (0.59) P2RX1RAB9ANPC1MAPTNPSR1
SCHEMBL10581776 0.79 MEN1 (0.49) P2RX1MAPTNPSR1ALDH1A1KDM4E
SCHEMBL342522 0.77 SMN1; SMN2 (0.68) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3145336 0.77 ALDH1A1 (0.51) P2RX1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL5029989 0.75 P2RX1 (0.52) P2RX1ALDH1A1KDM4EHPGDHTT
SCHEMBL8018211 0.73 P2RX1 (0.41) P2RX1RAB9ANPC1MAPTNPSR1
SCHEMBL6108617 0.73 P2RX1 (0.50) P2RX1RAB9ANPC1MAPTNPSR1
SCHEMBL9559719 0.73 ALDH1A1 (0.62) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL10911991 0.73 RAB9A (0.48) P2RX1RAB9ANPC1MAPTNPSR1

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-4133954-A FUNGICIDES CIBA-GEIGY CORPORATION (US) 1979-01-09 US disclosed