SCHEMBL9739579

SCHEMBL9739579

[c]1ccc(N2CCCC2)cc1-c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.52
TERT O14746 3/20 0.38
CDC7 O00311 1/20 0.38
CDK9 P50750 1/20 0.38
ADRB2 P07550 1/20 0.36
NCF1 P14598 1/20 0.36
PLD1 Q13393 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
ROCK2 O75116 3/20 0.35
ROCK1 Q13464 3/20 0.35
ITK Q08881 3/20 0.35
HRH4 Q9H3N8 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
AURKA O14965 1/20 0.34
KIT P10721 1/20 0.34
SRC P12931 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
SCHEMBL4101892 0.86 HRH4 (0.47) MEN1KMT2AHRH4CSNK1DMAPK14
SCHEMBL9738792 0.85 TERT (0.41) CHKATERTMEN1KMT2AUSP2
SCHEMBL9739967 0.83 ALDH1A1 (0.43) CHKATERTMEN1KMT2AUSP2
SCHEMBL1419659 0.77 PRMT6 (0.45) CHKATERTMEN1KMT2AUSP2
SCHEMBL6073610 0.72 LGMN (0.46) MEN1KMT2AUSP2TSHRLMNA
SCHEMBL27955545 0.71 MAPT (0.48) LMNAMAPT
SCHEMBL28281275 0.71 CHKA (0.75) CHKACDC7CDK9ADRB2NCF1
SCHEMBL49273 0.70 CHKA (1.00) CHKATERTADRB2NCF1PLD1
SCHEMBL4112616 0.70 CYP1A2 (0.48) MEN1KMT2ATSHRLMNACYP3A4
SCHEMBL3140104 0.70 TERT (0.41) CHKATERTMEN1KMT2AUSP2

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-5134150-A Administering diaryl-substituted imidazothiazoles; antiarthritic agents SMITHKLINE BEECHAM CORPORATION (US) 1992-07-28 US disclosed