SCHEMBL6981693

SCHEMBL6981693

[c]1cccc(-c2ccc3ccccc3n2)c1SCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 10/20 0.39
NPC1 O15118 8/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
SSTR4 P31391 1/20 0.38
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PTGS2 P35354 1/20 0.36
AR P10275 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 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
SCHEMBL29037875 0.80 POLB (0.47) LMNAHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL6469994 0.78 RAB9A (0.49) LMNARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL1247110 0.76 TDP1 (0.40) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL18905 0.74 POLB (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL19025916 0.72 CYP1A2 (0.48) LMNAHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL1724293 0.72 ELANE (0.35) LMNAHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL24245 0.71 APP (0.35) RAB9ANPC1SMN1; SMN2CYP3A4
SCHEMBL17438680 0.70 S100A4 (0.38) LMNAHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL29177611 0.70 RXFP1 (0.60) LMNARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL17438712 0.69 RAB9A (0.47) LMNAHPGDRAB9ANPC1SMN1; SMN2

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
EP-0771565-B1 Angiogenesis inhibitor SENJU PHARMA CO (JP) 2003-01-02 EP claimed