SCHEMBL1906321

SCHEMBL1906321

CN1CCCC1C(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NCc1cnc(N)s1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
CCNT1 O60563 2/20 0.41
MEN1 O00255 1/20 0.41
AADAT Q8N5Z0 1/20 0.40
TACR1 P25103 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
ADRB2 P07550 1/20 0.39
POLB P06746 2/20 0.38
CTSS P25774 3/20 0.38
CTSK P43235 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CTSV O60911 2/20 0.37
CTSL P07711 2/20 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
SCHEMBL1908228 1.00 KMT2A (0.41) KMT2ACCNT1MEN1AADATTACR1
SCHEMBL1906919 0.91 CTSB (0.40) AADATALDH1A1CTSSCTSKCTSV
SCHEMBL1906106 0.91 CTSL (0.47) CTSSCTSKCTSVCTSL
SCHEMBL1905802 0.91 CTSL (0.47) CTSSCTSKCTSVCTSL
SCHEMBL1905042 0.90 MEN1 (0.39) KMT2AMEN1TACR1ALDH1A1LMNA
SCHEMBL1904624 0.90 MEN1 (0.39) KMT2AMEN1TACR1ALDH1A1LMNA
SCHEMBL1902249 0.90 MEN1 (0.39) KMT2AMEN1TACR1ALDH1A1LMNA
SCHEMBL1907660 0.90 MEN1 (0.47) KMT2AMEN1AADATTACR1ALDH1A1
SCHEMBL1903784 0.90 MEN1 (0.47) KMT2AMEN1AADATTACR1ALDH1A1
SCHEMBL1907208 0.88 MEN1 (0.38) KMT2AMEN1ALDH1A1LMNAPOLB

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-2011051673-A1 AMINOTHIAZOLE DERIVATIVES USEFUL AS KLK1 INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO claimed