SCHEMBL11116072

SCHEMBL11116072

O=C(S)N(c1ccc(F)cc1)c1ccc(-c2ccc(=O)[nH]n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 2/20 0.46
CA12 O43570 1/20 0.43
ALPL P05186 1/20 0.43
RPA1 P27694 1/20 0.43
PDE3B Q13370 4/20 0.42
PDE3A Q14432 4/20 0.42
MAPT P10636 2/20 0.40
JAK2 O60674 1/20 0.40
NTRK1 P04629 1/20 0.40
RET P07949 1/20 0.40
PDGFRB P09619 1/20 0.40
CDK8 P49336 1/20 0.40
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40
AURKB Q96GD4 1/20 0.40
KDR P35968 1/20 0.39
PDE4A P27815 2/20 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
SCHEMBL11117745 0.86 LMNA (0.68) LMNAMEN1KMT2ACYP1A2ALPL
SCHEMBL11119833 0.83 LMNA (0.44) LMNAMEN1KMT2ACYP1A2PDE3B
SCHEMBL11114054 0.83 MAPT (0.43) LMNAMEN1KMT2ACYP1A2CA12
SCHEMBL4122238 0.82 LMNA (0.67) LMNAMEN1KMT2ACYP1A2CA12
SCHEMBL11117716 0.82 MEN1 (0.43) LMNAMEN1KMT2ACYP1A2PDE3B
SCHEMBL11118393 0.80 NTRK1 (0.58) LMNAMEN1KMT2ACYP1A2PDE3B
SCHEMBL11113925 0.78 PDE4A (0.49) LMNAMEN1KMT2ACYP1A2PDE3B
SCHEMBL11121540 0.77 LMNA (0.47) LMNAMEN1KMT2ACYP1A2PDE3B
SCHEMBL11116145 0.75 LMNA (0.44) LMNAMEN1KMT2ACYP1A2PDE3B
SCHEMBL11121324 0.74 LMNA (0.46) LMNAMEN1KMT2ACYP1A2PDE3B

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
EP-0116853-A1 Pyridazinones, processes for preparing them, therapeutical compositions containing these compounds and their use BASF Aktiengesellschaft (DE) 1984-08-29 EP disclosed