SCHEMBL8298958

SCHEMBL8298958

C=C(OC)c1cc([N+](=O)[O-])cc2c1CCCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ SLC6A4 P31645 1/20 0.36
▸ NLRP3 Q96P20 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ POLB P06746 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
SCHEMBL4265834 0.83 MEN1 (0.45) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL19255040 0.79 KMT2A (0.48) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL5750687 0.77 KMT2A (0.49) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL7677787 0.76 SMN1; SMN2 (0.45) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL1716137 0.75 ALDH1A1 (0.43) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL11729721 0.74 KMT2A (0.46) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL6986834 0.74 NLRP3 (0.44) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL30503600 0.73 GPR35 (0.44) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2594851 0.73 GPR35 (0.44) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2592052 0.68 CYP3A4 (0.44) KMT2AMEN1MAPTLMNASMN1; SMN2

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-2005000838-A1 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-06 — — WO disclosed
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