SCHEMBL6624855

SCHEMBL6624855

c1ccc(N(c2ccccc2)n2ccc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.50
CDK4 P11802 4/20 0.42
CCND1 P24385 4/20 0.42
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HTR6 P50406 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
NOTUM Q6P988 1/20 0.37

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
SCHEMBL6625810 0.80 SLC6A2 (0.75) SLC6A2CDK4CCND1ALDH1A1HTR2A
SCHEMBL6624825 0.78 KMO (0.41) SLC6A2RAB9AALDH1A1HPGD
SCHEMBL3365470 0.74 SLC6A2 (0.58) SLC6A2CDK4CCND1HTR2AHTR2C
SCHEMBL27756891 0.73 LMNA (0.43) SLC6A2KMT2ATSHRRAB9AL3MBTL1
SCHEMBL6624272 0.73 HTR2A (0.41) SLC6A2ALDH1A1HPGDHTTHTR6
SCHEMBL6624568 0.73 NOTUM (0.44) TSHRALDH1A1LMNAHPGDHTT
SCHEMBL6626421 0.72 HTR6 (0.39) L3MBTL1ALDH1A1HPGDHTTHTR6
SCHEMBL6626210 0.70 HTR6 (0.43) SLC6A2TSHRLMNAHPGDHTR6
SCHEMBL4102885 0.69 SLC6A2 (0.49) SLC6A2KMT2ATSHRRAB9AL3MBTL1
SCHEMBL6002347 0.67 SLC6A2 (0.40) SLC6A2CDK4CCND1KMT2ATSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1035114-B1 Processes for the preparation of nitrogen-heterocyclic compounds TOSOH CORP (JP) 2004-11-24 EP disclosed
US-6346621-B1 INDOLE OR QUINOLINE COMPOUNDS SUBSTITUTED WITH AMINO COMPOUNDS ON NITROGEN TOSOH CORPORATION (JP) 2002-02-12 US disclosed
EP-1035114-A2 Nitrogen-heterocyclic compounds and process for production thereof TOSOH CORPORATION (JP) 2000-09-13 EP disclosed