SCHEMBL8934598

SCHEMBL8934598

Cc1ccn2cc(CSc3ccc(NC4=NCCS4)cc3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.59
NPC1 O15118 6/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 2/20 0.47
KDM4E B2RXH2 7/20 0.43
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
PKM P14618 1/20 0.43
NPY1R P25929 1/20 0.41
ALDH1A1 P00352 6/20 0.41
POLB P06746 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 4/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL8934518 0.85 NPY1R (0.50) SMN1; SMN2LMNAKDM4ETDP1NPY1R
SCHEMBL8934514 0.83 KMT2A (0.46) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL8934585 0.73 NPY1R (0.52) KDM4ENPY1RALDH1A1L3MBTL1KMT2A
SCHEMBL8934620 0.70 NPC1 (0.70) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL8934601 0.69 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL8934533 0.69 NPY1R (0.50) SMN1; SMN2CYP1A2NPY1RALDH1A1POLB
SCHEMBL8934504 0.67 NPY1R (0.48) SMN1; SMN2NPY1RALDH1A1POLBHPGD
SCHEMBL12329335 0.64 KDM4E (0.65) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9376686 0.63 KDM4E (0.63) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL22529080 0.63 KDM4E (0.63) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4

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
WO-1996030350-A1 AMIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-03 WO disclosed