SCHEMBL371249

SCHEMBL371249

Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2ncn(CC(=O)Nc3cc(CF)cc(C(F)(F)F)c3)c(=O)c12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
MAPT P10636 4/20 0.48
TP53 P04637 4/20 0.48
POLB P06746 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NR2F2 P24468 1/20 0.45
RXFP1 Q9HBX9 2/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43

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
SCHEMBL262424 0.94 MEN1 (0.59) MEN1KMT2AMAPTTP53POLB
SCHEMBL264235 0.90 MEN1 (0.58) MEN1KMT2AMAPTTP53POLB
SCHEMBL264484 0.90 MEN1 (0.60) MEN1KMT2AMAPTTP53POLB
SCHEMBL264988 0.86 MEN1 (0.65) MEN1KMT2AMAPTTP53POLB
SCHEMBL296147 0.83 MAPT (0.48) MEN1KMT2AMAPTTP53POLB
SCHEMBL264161 0.82 CYP3A4 (0.55) MEN1KMT2AMAPTTP53POLB
SCHEMBL263204 0.82 MEN1 (0.65) MEN1KMT2AMAPTTP53POLB
SCHEMBL264143 0.82 MAPT (0.56) MEN1KMT2AMAPTTP53POLB
SCHEMBL263909 0.82 KMT2A (0.61) MEN1KMT2AMAPTTP53POLB
SCHEMBL263689 0.81 MAPT (0.55) MEN1KMT2AMAPTTP53POLB

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-8133998-B2 Bicyclic pyrimidine derivatives as calcium channel blockers Zalicus Pharmaceuticals, Ltd. (CA) 2012-03-13 US disclosed