SCHEMBL21994498

SCHEMBL21994498

[CH2]C(F)(F)c1ccc(C)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.35
NOTUM Q6P988 1/20 0.35
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
HSP90AA1 P07900 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2A6 P11509 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL1042555 0.83 NOTUM (0.49) PTPN1SMN1; SMN2NOTUMNPC1RAB9A
SCHEMBL29616577 0.83 NOTUM (0.49) PTPN1SMN1; SMN2NOTUMNPC1RAB9A
SCHEMBL21995470 0.78 TDP1 (0.39) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL4062935 0.78 NPC1 (0.40) PTPN1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4544654 0.76 ALDH1A1 (0.39) PTPN1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL21995414 0.75 CYP3A4 (0.39) SMN1; SMN2NOTUMRAB9AMAPTMAPK1
SCHEMBL9809603 0.74 PTPN1 (0.37) PTPN1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL30882458 0.73 PTPN1 (0.41) PTPN1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL30623436 0.72 PTPN1 (0.39) PTPN1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14958302 0.72 PTPN1 (0.39) PTPN1SMN1; SMN2NPC1RAB9AMAPT

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
EP-3887362-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS Bayer Aktiengesellschaft (DE) 2021-10-06 EP disclosed
WO-2020109391-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-06-04 WO disclosed