SCHEMBL9727063

SCHEMBL9727063

C=C(c1c(C)n(CC)c2ccc(OC)cc12)c1c(C)n(CC)c2ccc(N(CC)CC)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
HSD17B10 Q99714 1/20 0.48
GRIK2 Q13002 2/20 0.45
GRIK1 P39086 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.43
PLA2G2A P14555 1/20 0.43
PTGER4 P35408 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
PKM P14618 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ATM Q13315 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
SCHEMBL5972344 0.90 KDM4E (0.73) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL9727107 0.76 KDM4E (0.80) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL5665001 0.76 KDM4E (0.46) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL5664993 0.76 KDM4E (0.46) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL5972720 0.74 KDM4E (0.49) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL7487744 0.73 KDM4E (0.53) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL11290872 0.72 GRIK2 (0.68) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL5508192 0.71 KDM4E (0.46) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL21651446 0.70 PTGER4 (0.73) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL29493320 0.70 PTGER4 (0.73) KDM4EMEN1KMT2ANPC1RAB9A

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-5116978-A Vilsmeir reagent APPLETON PAPERS INC. (US) 1992-05-26 US disclosed
US-5086171-A Pressure-sensitive or heat-sensitive mark-forming record systems APPLETON PAPERS INC. (US) 1992-02-04 US disclosed