SCHEMBL6259250

SCHEMBL6259250

CCOc1cccc(N2CCN(C(=O)c3cc(C)nn3-c3ccccc3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 8/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 4/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 3/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALOX15 P16050 1/20 0.49

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
Hydrochloric Acid SCHEMBL6414121 0.99 CCKAR (0.54) CCKARKMT2ATSHRMAPTLMNA
SCHEMBL6260535 0.91 KMT2A (0.52) CCKARKMT2ATSHRMAPTLMNA
Hydrochloric Acid SCHEMBL6414463 0.91 KMT2A (0.54) CCKARKMT2ATSHRMAPTLMNA
Hydrochloric Acid SCHEMBL6421176 0.90 KMT2A (0.52) CCKARKMT2ATSHRMAPTLMNA
SCHEMBL6263633 0.90 KMT2A (0.53) CCKARKMT2ATSHRMAPTLMNA
SCHEMBL6265999 0.86 KMT2A (0.56) CCKARKMT2ATSHRMAPTLMNA
SCHEMBL6415048 0.86 KMT2A (0.62) KMT2ATSHRMAPTLMNAALDH1A1
SCHEMBL6416255 0.85 TSHR (0.65) KMT2ATSHRMAPTLMNAALDH1A1
SCHEMBL6259498 0.85 KMT2A (0.55) CCKARKMT2ATSHRMAPTLMNA
SCHEMBL6415443 0.85 TSHR (0.59) KMT2ATSHRMAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590329-A1 N-ARYL HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2005-11-02 EP disclosed
WO-2004078732-A1 N-ARYL HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-09-16 WO disclosed