SCHEMBL11622724

SCHEMBL11622724

O=c1ccc(-c2cc(Cl)cc(C(F)(F)F)c2)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
NTRK1 P04629 2/20 0.47
JAK2 O60674 1/20 0.47
RET P07949 1/20 0.47
PDGFRB P09619 1/20 0.47
CDK8 P49336 1/20 0.47
NTRK3 Q16288 1/20 0.47
NTRK2 Q16620 1/20 0.47
AURKB Q96GD4 1/20 0.47
KDR P35968 1/20 0.46
CYP1A2 P05177 2/20 0.46
LMNA P02545 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
AKR1B1 P15121 3/20 0.40
RORB Q92753 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
SCHEMBL7584622 0.84 CYP1A2 (0.58) KDRCYP1A2LMNAKMT2AMEN1
SCHEMBL1769732 0.79 JAK2 (0.62) NOTUMNTRK1JAK2RETPDGFRB
SCHEMBL10966762 0.78 LMNA (0.61) NOTUMNTRK1JAK2RETPDGFRB
Hydrochloric Acid SCHEMBL30367906 0.76 LMNA (0.59) NOTUMNTRK1JAK2RETPDGFRB
SCHEMBL11622285 0.73 KDR (0.68) NOTUMNTRK1JAK2RETPDGFRB
SCHEMBL4048920 0.73 CYP1A2 (0.62) NOTUMCYP1A2LMNAKMT2AMEN1
SCHEMBL11742209 0.73 CYP1A2 (0.56) KDRCYP1A2LMNAKMT2AMEN1
SCHEMBL481916 0.72 LMNA (0.67) NOTUMKDRCYP1A2LMNAKMT2A
SCHEMBL11628056 0.72 ADORA2A (0.44) NOTUMRORBHPGD
Bromide SCHEMBL11739258 0.72 CYP1A2 (0.61) NOTUMCYP1A2LMNAKMT2AMEN1

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-4112095-A 6-Phenyl-1,2,4-triazolo[4,3-b]pyridazine hypotensive agents AMERICAN CYANAMID COMPANY (US) 1978-09-05 US disclosed