SCHEMBL15677758

SCHEMBL15677758

c1ccc2c(NNC3CCCCC3)cccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.57
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
EPHX1 P07099 2/20 0.57
KMT2A Q03164 2/20 0.57
RAB9A P51151 2/20 0.57
MEN1 O00255 1/20 0.57
METAP2 P50579 4/20 0.51
METAP1 P53582 2/20 0.51
CYP3A4 P08684 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CDC25B P30305 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL2468694 0.82 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2EPHX1KMT2A
SCHEMBL11077693 0.80 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2EPHX1KMT2A
SCHEMBL7915675 0.74 ALDH1A1 (0.60) KDM4EALDH1A1KMT2ARAB9AMEN1
SCHEMBL10089305 0.73 EPHX1 (1.00) KDM4EALDH1A1SMN1; SMN2EPHX1KMT2A
SCHEMBL11850223 0.73 ALDH1A1 (0.40) KDM4EALDH1A1SMN1; SMN2EPHX1KMT2A
SCHEMBL6938812 0.72 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2EPHX1KMT2A
SCHEMBL8093250 0.72 EPHX1 (0.52) KDM4EALDH1A1SMN1; SMN2EPHX1KMT2A
SCHEMBL6938817 0.72 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2EPHX1KMT2A
SCHEMBL29447185 0.72 ROCK2 (0.58) KDM4EALDH1A1SMN1; SMN2EPHX1KMT2A
SCHEMBL9008311 0.72 ROCK2 (0.58) KDM4EALDH1A1SMN1; SMN2EPHX1KMT2A

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-11225620-B2 Additive composition for fuel TOTAL MARKETING SERVICES (FR) 2022-01-18 US disclosed
US-20200392422-A1 ADDITIVE COMPOSITION FOR FUEL TOTAL MARKETING SERVICES (FR) 2020-12-17 US disclosed
EP-1558591-B1 MODULATION OF ANXIETY THROUGH BLOCKADE OF ANANDAMIDE HYDROLYSIS UNIV CALIFORNIA (US) 2014-05-07 EP disclosed