SCHEMBL4409381

SCHEMBL4409381

c1ccc2cc(Nn3cnc4cncnc43)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
CSNK2A2 P19784 1/20 0.37
CSNK2A1 P68400 1/20 0.37
LTA4H P09960 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
HBB P68871 1/20 0.36
CYP26A1 O43174 2/20 0.36
EGFR P00533 3/20 0.36

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
SCHEMBL2429098 0.83 CYP1A2 (0.41) MAPTMAPK1LTA4HALDH1A1MEN1
SCHEMBL28251675 0.78 CYP1A2 (0.42) MAPTMAPK1CSNK2A2CSNK2A1KDM4E
Hydrochloric Acid SCHEMBL7659960 0.77 CYP1A2 (0.41) MAPTMAPK1CSNK2A2CSNK2A1KDM4E
SCHEMBL27491044 0.77 HAVCR2 (0.37) NPC1RAB9AMAPTLTA4HKDM4E
SCHEMBL3014789 0.76 LMNA (0.40) RAB9ALTA4HKDM4EALDH1A1MEN1
SCHEMBL28197754 0.74 HDAC1 (0.36) LTA4HALDH1A1MEN1KMT2ACYP3A4
SCHEMBL3016798 0.74 CA2 (0.43) MAPTMAPK1CSNK2A1MEN1KMT2A
SCHEMBL4551626 0.73 MEN1 (0.39) NPC1RAB9AMAPK1LTA4HALDH1A1
SCHEMBL795951 0.73 L3MBTL1 (0.35) LTA4HALDH1A1MEN1KMT2ACYP3A4
SCHEMBL5828209 0.68 FDPS (0.40) LTA4HALDH1A1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5654255-A MIXTURE OF A N,N-DIMETHYLPIPERIDINIUM SALT, HEXITOL AND CYTOKININ; COTTON PLANTS BASF CORPORATION (US) 1997-08-05 US claimed
US-7634870-B1 Cytokinin enhancement of cotton THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2009-12-22 US disclosed