SCHEMBL7280852

SCHEMBL7280852

CC1=C(C(=O)OC(C)C)C(c2ccccc2[N+](=O)[O-])c2c(-c3ccccc3)nn(C)c2N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
ADORA3 P0DMS8 4/20 0.49
LMNA P02545 4/20 0.49
CYP1A2 P05177 4/20 0.49
CACNA1F O60840 3/20 0.49
CACNA1D Q01668 3/20 0.49
CACNA1S Q13698 3/20 0.49
CACNA1C Q13936 3/20 0.49
MAPT P10636 3/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
ABCC4 O15439 2/20 0.49
ABCB11 O95342 2/20 0.49
ADORA2A P29274 2/20 0.49
ADORA1 P30542 2/20 0.49
OPRM1 P35372 2/20 0.49
SCN1A P35498 2/20 0.49
HTR2B P41595 2/20 0.49
KCNH2 Q12809 2/20 0.49

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
SCHEMBL7278723 0.90 ADORA3 (0.62) KMT2AADORA3LMNACYP1A2CACNA1F
SCHEMBL7272365 0.89 ACHE (0.53) KMT2AADORA3LMNACYP1A2CACNA1F
SCHEMBL7281470 0.86 CACNA1C (0.50) KMT2AADORA3LMNACYP1A2CACNA1F
SCHEMBL10377480 0.84 ADORA3 (0.46) KMT2AADORA3LMNACYP1A2CACNA1F
SCHEMBL8093521 0.80 CYP1A2 (0.75) KMT2AADORA3LMNACYP1A2CACNA1F
SCHEMBL7282419 0.79 ADORA3 (0.62) KMT2AADORA3LMNACYP1A2CACNA1F
SCHEMBL10575150 0.79 CACNA1C (0.46) KMT2AADORA3LMNACYP1A2CACNA1F
SCHEMBL7282056 0.79 CACNA1C (0.67) KMT2AADORA3LMNACYP1A2CACNA1F
SCHEMBL7272934 0.78 CACNA1C (0.47) KMT2AADORA3LMNACYP1A2CACNA1F
SCHEMBL7272926 0.78 CACNA1C (0.47) KMT2AADORA3LMNACYP1A2CACNA1F

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0114273-B1 NEW PHARMACOLOGICALLY ACTIVE PYRAZOLOPYRIDINES GRUPPO LEPETIT S.p.A. (IT) 1991-11-06 EP disclosed
US-4954508-A HYPOTENSIVE GRUPPO LEPETIT S.P.A. (IT) 1990-09-04 US disclosed