SCHEMBL9079990

SCHEMBL9079990

O=C(Nc1cccn2c(CSc3nc4ncccc4[nH]3)c(C(F)(F)F)nc12)c1c(Cl)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
POLB P06746 3/20 0.41
KMT2A Q03164 1/20 0.40
LMNA P02545 4/20 0.40
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BACE1 P56817 1/20 0.39
HSD17B10 Q99714 1/20 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
SCHEMBL9079987 0.89 TYK2 (0.36) SMN1; SMN2KMT2ALMNAHPGD
Hydrochloric Acid SCHEMBL9233356 0.88 HDAC1 (0.43) TP53SMN1; SMN2POLBKMT2ALMNA
SCHEMBL9082584 0.86 PTGES (0.38) SMN1; SMN2KMT2AHPGD
Hydrochloric Acid SCHEMBL9080397 0.83 HDAC1 (0.39) SMN1; SMN2POLBKMT2ALMNARAB9A
Hydrochloric Acid SCHEMBL9080756 0.81 TYK2 (0.44) SMN1; SMN2POLBKMT2ALMNAALDH1A1
SCHEMBL9081142 0.80 POLB (0.47) TP53SMN1; SMN2POLBKMT2ARAB9A
SCHEMBL9082579 0.78 TYK2 (0.37) SMN1; SMN2POLBKMT2A
SCHEMBL9080031 0.78 KMT2A (0.45) SMN1; SMN2POLBKMT2AHPGD
SCHEMBL9081108 0.78 KMT2A (0.45) SMN1; SMN2POLBKMT2AHPGD
SCHEMBL9080202 0.77 TYK2 (0.38) SMN1; SMN2POLBKMT2ALMNAHPGD

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
WO-1996034866-A1 IMIDAZO 1,2-A PYRIDINE AND IMIDAZO 1,2-A PYRIDEZINE DERIVATIVES AND THEIR USE AS BONE RESORPTION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-07 WO disclosed