SCHEMBL9720757

SCHEMBL9720757

Cc1ccc(-c2nc(CN(C(C)C)C(C)C)c(C)[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 5/20 0.38
TNKS O95271 4/20 0.38
PARP1 P09874 4/20 0.38
ACHE P22303 2/20 0.37
CTSS P25774 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
WNT3A P56704 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
CSF1R P07333 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
NPBWR1 P48145 1/20 0.34
MAPT P10636 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
SCHEMBL9720703 0.80 ACHE (0.41) TNKS2TNKSPARP1ACHECTSS
SCHEMBL6649887 0.76 TNKS (0.41) TNKS2TNKSPARP1CTSSRAB9A
SCHEMBL19350091 0.76 CTSS (0.41) TNKS2TNKSPARP1CTSSRAB9A
SCHEMBL9720701 0.75 ATP4A (0.40) TNKS2TNKSPARP1ACHEMAPT
Hydrochloric Acid SCHEMBL8963760 0.74 CTSS (0.40) TNKS2TNKSPARP1CTSSRAB9A
Hydrochloric Acid SCHEMBL1437155 0.74 SMPD3 (0.40) TNKS2TNKSPARP1CTSSRAB9A
SCHEMBL9720691 0.74 NPSR1 (0.40) TNKS2TNKSPARP1DRD2DRD4
SCHEMBL9720664 0.71 DRD2 (0.62) CTSSDRD2DRD4DRD3
SCHEMBL9720685 0.70 KDM4E (0.39) TNKS2TNKSPARP1CTSSRAB9A
SCHEMBL28462866 0.69 SMPD3 (0.47) TNKS2TNKSPARP1RAB9ASMN1; 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
US-5142052-A Cationic effect-driven carbinol/amine reaction LABORATOIRES SYNTEX (FR) 1992-08-25 US disclosed