SCHEMBL9116089

SCHEMBL9116089

CCCC(=O)c1cccc(C)c1N

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.42
CTNNB1 P35222 3/20 0.42
WNT3A P56704 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CD44 P16070 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
SCHEMBL10975649 0.89 ALDH1A1 (0.47) CTNNB1ALDH1A1HPGDALOX15TSHR
SCHEMBL7547028 0.85 CD44 (0.43) ALDH1A1HPGDTSHRHSD17B10TDP1
SCHEMBL9631839 0.84 ALDH1A1 (0.43) ALDH1A1HPGDALOX15TSHRRECQL
SCHEMBL22123487 0.82 ALDH1A1 (0.42) ALDH1A1HPGDALOX15TSHRRECQL
SCHEMBL5309095 0.81 CTNNB1 (0.46) F2RCTNNB1WNT3AALDH1A1HPGD
SCHEMBL7545488 0.81 CD44 (0.41) CTNNB1WNT3AALDH1A1HPGDHSD17B10
SCHEMBL10678046 0.81 LMNA (0.42) CTNNB1WNT3AALDH1A1HPGDTSHR
SCHEMBL3346960 0.81 CTNNB1 (0.58) F2RCTNNB1WNT3AALDH1A1HPGD
SCHEMBL8395859 0.81 F2R (0.43) F2RALDH1A1HPGDALOX15TSHR
Hydrochloric Acid SCHEMBL9864094 0.80 CTNNB1 (0.40) CTNNB1WNT3AALDH1A1HPGDHSD17B10

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
WO-1995029902-A1 SUBSTITUTED PHENYL AMINOSULPHONYL UREAS BAYER AKTIENGESELLSCHAFT (DE) 1995-11-09 WO disclosed
US-4032573-A ANESTHETIC, ANTIARRYTHMIA SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-06-28 US disclosed