SCHEMBL24258323

SCHEMBL24258323

CCc1cc(CNC2CC2)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
MITF O75030 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 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
SCHEMBL27704317 0.90 PRMT5 (0.47) KMT2AMEN1SMN1; SMN2POLBHRH3
SCHEMBL2635104 0.88 POLB (0.50) KMT2AMEN1SMN1; SMN2POLBRAB9A
SCHEMBL3081029 0.83 HTR1A (0.43) KMT2AMEN1SMN1; SMN2POLBRAB9A
SCHEMBL3093702 0.83 SLC6A4 (0.43) KMT2AMEN1SMN1; SMN2POLBRAB9A
SCHEMBL10186620 0.81 POLB (0.41) KMT2AMEN1SMN1; SMN2POLBRAB9A
SCHEMBL16033868 0.81 POLB (0.53) KMT2AMEN1POLBRAB9AHRH3
SCHEMBL1750833 0.81 P2RX7 (0.44) KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL1750883 0.80 TSHR (0.44) KMT2ASMN1; SMN2POLBRAB9AHRH3
Hydrochloric Acid SCHEMBL18130662 0.80 POLB (0.56) KMT2AMEN1POLBRAB9AHRH3
SCHEMBL10186616 0.79 SPHK1 (0.40) KMT2AMEN1SMN1; SMN2POLBRAB9A

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-3177612-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2022-02-23 EP disclosed