SCHEMBL8180677

SCHEMBL8180677

CC(C)c1ccc(-n2c[c]cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.49
MGLL Q99685 1/20 0.40
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ESRRA P11474 7/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MTOR P42345 1/20 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
SCHEMBL671068 0.78 NOTUM (0.44) NOTUMMGLLPOLBNPSR1TDP1
SCHEMBL2903090 0.78 NOTUM (0.48) NOTUMMGLLALDH1A1KMT2ANPC1
SCHEMBL2752440 0.74 NOTUM (0.44) NOTUMMGLLTDP1ALDH1A1L3MBTL1
SCHEMBL29094139 0.73 MGLL (0.40) MGLLPOLBTDP1ALDH1A1MEN1
SCHEMBL2760925 0.73 CYP1A2 (0.46) MGLLPOLBALDH1A1MEN1KMT2A
SCHEMBL430176 0.73 GAA (0.42) NOTUMPOLBL3MBTL1NPC1MAPT
SCHEMBL27984093 0.72 NOTUM (0.51) NOTUMMGLLPOLBNPSR1ESRRA
SCHEMBL7229570 0.71 NOTUM (0.44) NOTUMPOLBALDH1A1
SCHEMBL22902068 0.71 NOTUM (0.50) NOTUMMGLLPOLBNPSR1ESRRA
SCHEMBL293796 0.70 MGLL (0.43) MGLLNPC1MAPTRAB9A

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
US-6166015-A Pyrrolidine derivatives-CCR-3 receptor antagonists SYNTEX (U.S.A.) INC. (US) 2000-12-26 US disclosed