SCHEMBL11116074

SCHEMBL11116074

O=C(Nc1ccc(-c2ccc(=O)[nH]n2)cc1)Sc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
JAK2 O60674 1/20 0.49
NTRK1 P04629 1/20 0.49
RET P07949 1/20 0.49
PDGFRB P09619 1/20 0.49
CDK8 P49336 1/20 0.49
NTRK3 Q16288 1/20 0.49
NTRK2 Q16620 1/20 0.49
AURKB Q96GD4 1/20 0.49
KDR P35968 1/20 0.48
LMNA P02545 2/20 0.43
PTPN1 P18031 2/20 0.42
PTPN6 P29350 1/20 0.42
PTPN11 Q06124 1/20 0.42
CYP1A2 P05177 1/20 0.42
ACR P10323 1/20 0.42
CA12 O43570 1/20 0.40
ALPL P05186 1/20 0.40
RPA1 P27694 1/20 0.40

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
SCHEMBL11117748 0.88 KMT2A (0.61) MEN1KMT2AJAK2NTRK1RET
SCHEMBL11118417 0.88 CYP1A2 (0.55) MEN1KMT2AJAK2NTRK1RET
SCHEMBL11119837 0.85 JAK2 (0.44) MEN1KMT2AJAK2NTRK1RET
SCHEMBL11117718 0.84 JAK2 (0.43) MEN1KMT2AJAK2NTRK1RET
SCHEMBL11114055 0.82 KMT2A (0.49) MEN1KMT2AJAK2NTRK1RET
SCHEMBL11121938 0.80 KMT2A (0.55) MEN1KMT2AJAK2NTRK1RET
SCHEMBL11118397 0.79 AURKB (0.70) JAK2NTRK1RETPDGFRBCDK8
SCHEMBL11122630 0.79 JAK2 (0.58) MEN1KMT2AJAK2NTRK1RET
SCHEMBL4122238 0.78 LMNA (0.67) MEN1KMT2ALMNACYP1A2CA12
SCHEMBL11116974 0.78 MEN1 (0.52) MEN1KMT2AJAK2NTRK1RET

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