SCHEMBL6483497

SCHEMBL6483497

Nc1cncc2c[c]ccc12

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
IMPDH2 P12268 2/20 0.32
PRKCZ Q05513 1/20 0.30

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
SCHEMBL2252181 0.71 ALDH1A1 (0.54) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2856946 0.71 C1S (0.38) LMNACYP1A2CYP3A4CYP2D6
SCHEMBL1007784 0.70 LMNA (0.63) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30905954 0.70 LMNA (0.63) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30032995 0.70 CYP3A4 (0.57) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1325881 0.70 CYP3A4 (0.57) LMNACYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL15910696 0.68 CYP3A4 (0.55) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6161689 0.68 DYRK1A (0.31)
SCHEMBL17511987 0.68 KDM4E (0.46) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29024928 0.67 EGFR (0.47) LMNACYP1A2CYP3A4CYP2D6CYP2C9

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-6958356-B2 Guanidine mimics factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-25 US disclosed