SCHEMBL7741609

SCHEMBL7741609

CCCCCCCCc1cccnc1-c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39

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
SCHEMBL5138400 1.00 LIPG (0.46) LIPGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL4475658 1.00 LIPG (0.46) LIPGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL27742366 1.00 LIPG (0.46) LIPGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL27863202 1.00 LIPG (0.46) LIPGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL7207311 1.00 LIPG (0.46) LIPGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL2410544 1.00 LIPG (0.46) LIPGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL8858058 0.97 CYP1A2 (0.45) LIPGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL29542562 0.94 CYP1A2 (0.47) LIPGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL29542978 0.94 CYP1A2 (0.47) LIPGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL14722433 0.94 CYP1A2 (0.47) LIPGCYP1A2CYP2D6CYP19A1CYP2C9

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
US-6478912-B2 Reversibly switchable primers DAIMLERCHRYSLER AG (DE) 2002-11-12 US disclosed
US-20010054475-A1 Ligand layer on a metal surface is capable of being reversibly switched between adhesion and deadhesion; includes substituted pyridine dimers and/or pyridine trimers DAIMLERCHRYSLER AG (DE) 2001-12-27 US disclosed