SCHEMBL6949386

SCHEMBL6949386

O=C1CCCc2ccccc2N1Br

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 2/20 0.44
CYP2A6 P11509 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
NOTUM Q6P988 1/20 0.42
TP53 P04637 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL29733604 0.88 POLB (0.51) MEN1KMT2APOLBSMN1; SMN2CYP2A6
SCHEMBL1396793 0.88 POLB (0.51) MEN1KMT2APOLBSMN1; SMN2CYP2A6
SCHEMBL1464486 0.79 HPGD (0.57) KMT2ACYP1A2GAACYP2A6NOTUM
SCHEMBL30642159 0.79 HPGD (0.57) KMT2ACYP1A2GAACYP2A6NOTUM
SCHEMBL432918 0.78 MEN1 (0.54) MEN1KMT2APOLBCYP1A2CYP2C9
SCHEMBL29946500 0.77 MEN1 (0.50) MEN1KMT2APOLBCYP1A2CYP2C9
SCHEMBL678115 0.77 MEN1 (0.50) MEN1KMT2APOLBCYP1A2CYP2C9
SCHEMBL8164410 0.77 MEN1 (0.50) MEN1KMT2APOLBCYP1A2CYP2C9
Hydrochloric Acid SCHEMBL1977939 0.76 MEN1 (0.49) MEN1KMT2APOLBCYP1A2CYP2C9
SCHEMBL9627340 0.74 HPGD (0.66) MEN1KMT2APOLBCYP1A2CYP2C9

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-1325921-A2 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators Pfizer Inc. (US) 2003-07-09 EP disclosed