SCHEMBL7717756

SCHEMBL7717756

NC(=NN=CCC(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.41
GRIN1 Q05586 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.37
CYP2C19 P33261 2/20 0.37
EPHX2 P34913 1/20 0.37
HTR2A P28223 2/20 0.36
TAAR1 Q96RJ0 2/20 0.36
ATM Q13315 1/20 0.36
HRH1 P35367 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
SLC6A3 Q01959 3/20 0.34
DRD3 P35462 2/20 0.34

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
SCHEMBL7717291 0.91 KDM1A (0.38) GRIN2BGRIN1MEN1KMT2ALMNA
SCHEMBL18891357 0.74 KMT2A (0.48) GRIN2BGRIN1MEN1KMT2APOLB
SCHEMBL18938347 0.72 KMT2A (0.61) GRIN2BGRIN1MEN1KMT2APOLB
SCHEMBL27608796 0.71 HTR2A (0.41) LMNACYP2C19HTR2ATAAR1HRH1
SCHEMBL15583383 0.71 GRIN2D (0.68) GRIN2BGRIN1MEN1KMT2ALMNA
SCHEMBL7717758 0.67 MEN1 (0.41) GRIN2BGRIN1MEN1KMT2APOLB
SCHEMBL7717755 0.67 MEN1 (0.41) GRIN2BGRIN1MEN1KMT2APOLB
SCHEMBL27460482 0.66 HTR2A (0.39) KMT2ACYP2C19HTR2ATAAR1HRH1
SCHEMBL13770411 0.65 KMT2A (0.52) GRIN2BGRIN1MEN1KMT2APOLB
SCHEMBL8669010 0.64 CYP2C19 (0.44) POLBNPSR1LMNACYP2C19HTR2A

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-6379655-B1 FOR PROTECTION OF HUMAN SKIN AND/OR HAIR AGAINST THE DAMAGING EFFECTS OF ULTRAVIOLET IRRADIATION SOCIETE L'OREAL S.A. (FR) 2002-04-30 US claimed
US-6379655-B1 FOR PROTECTION OF HUMAN SKIN AND/OR HAIR AGAINST THE DAMAGING EFFECTS OF ULTRAVIOLET IRRADIATION SOCIETE L'OREAL S.A. (FR) 2002-04-30 US disclosed