SCHEMBL31662856

SCHEMBL31662856

O=Cc1ccccc1-c1c[nH]cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
XDH P47989 1/20 0.40
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRIM24 O15164 2/20 0.35
TRIM33 Q9UPN9 2/20 0.35
TSHR P16473 1/20 0.35
CYP2A6 P11509 1/20 0.34
IMPDH2 P12268 1/20 0.34
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33

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
SCHEMBL1458813 1.00 KMT2A (0.41) KMT2AMEN1LMNATHRBBLM
SCHEMBL3765766 0.80
SCHEMBL13517574 0.78 CA1 (0.46) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL13517572 0.78 CA1 (0.46) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL19868912 0.75 PARP1 (0.35)
SCHEMBL19044036 0.73 MIF (0.56) KMT2AMEN1ALDH1A1HPGDHTT
SCHEMBL26259398 0.72 MEN1 (0.33) KMT2AMEN1HTTSMN1; SMN2
SCHEMBL26259557 0.72 IKBKE (0.32) KMT2AMEN1HTT
SCHEMBL1501942 0.72 IDO1 (0.47) KMT2AMEN1TDP1ALDH1A1HPGD
SCHEMBL3859261 0.72 IDO1 (0.47) KMT2ALMNATDP1ALDH1A1HPGD

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-2025149498-A1 BENZYLPIPERIDINE DERIVATIVES AS TRP4 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2025-07-17 WO disclosed