SCHEMBL9633079

SCHEMBL9633079

CCCC(=O)c1c[nH]c2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.73
CTNNB1 P35222 5/20 0.72
WNT3A P56704 5/20 0.72
GABRA1 P14867 1/20 0.68
GABRB2 P47870 1/20 0.68
PBRM1 Q86U86 1/20 0.64
LMNA P02545 1/20 0.63
GPR84 Q9NQS5 1/20 0.62
KDM1A O60341 1/20 0.60
ALDH1A1 P00352 1/20 0.59
ATM Q13315 1/20 0.59
NR4A2 P43354 1/20 0.58
CREBBP Q92793 1/20 0.58
MAPT P10636 3/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CYP1A2 P05177 1/20 0.56

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
SCHEMBL28751191 0.92 GABRA1 (0.81) ADAM17CTNNB1WNT3AGABRA1GABRB2
SCHEMBL1563151 0.91 GABRA1 (0.74) ADAM17CTNNB1WNT3AGABRA1GABRB2
SCHEMBL8959575 0.89 GABRA1 (0.72) ADAM17CTNNB1WNT3AGABRA1GABRB2
SCHEMBL8959628 0.89 GABRA1 (0.72) ADAM17CTNNB1WNT3AGABRA1GABRB2
SCHEMBL8959954 0.89 GABRA1 (0.72) ADAM17CTNNB1WNT3AGABRA1GABRB2
SCHEMBL8960008 0.89 GABRA1 (0.72) ADAM17CTNNB1WNT3AGABRA1GABRB2
SCHEMBL8077164 0.89 GABRA1 (0.72) ADAM17CTNNB1WNT3AGABRA1GABRB2
SCHEMBL8959866 0.89 GABRA1 (0.72) ADAM17CTNNB1WNT3AGABRA1GABRB2
SCHEMBL8960031 0.89 GABRA1 (0.72) ADAM17CTNNB1WNT3AGABRA1GABRB2
SCHEMBL10498633 0.89 GABRA1 (0.86) ADAM17CTNNB1WNT3AGABRA1GABRB2

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-5089497-A Dopaminergic agents WARNER-LAMBERT COMPANY (US) 1992-02-18 US disclosed