SCHEMBL9547508

SCHEMBL9547508

CCN(C(=O)NCc1ccccc1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.74
HDAC6 Q9UBN7 3/20 0.74
L3MBTL1 Q9Y468 3/20 0.67
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
ALDH1A1 P00352 2/20 0.58
GLA P06280 1/20 0.58
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
RIPK1 Q13546 1/20 0.49
OPRM1 P35372 1/20 0.48
OPRL1 P41146 1/20 0.48
EPHX2 P34913 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL20236328 0.90 HDAC1 (0.78) HDAC1HDAC6L3MBTL1MEN1KMT2A
SCHEMBL15270409 0.86 HDAC6 (1.00) HDAC1HDAC6L3MBTL1
SCHEMBL15272775 0.86 HDAC1 (0.73) HDAC1HDAC6L3MBTL1MEN1KMT2A
SCHEMBL965733 0.84 MEN1 (0.67) HDAC1HDAC6L3MBTL1MEN1KMT2A
SCHEMBL11664140 0.81 LMNA (0.53) HDAC1HDAC6L3MBTL1MEN1KMT2A
SCHEMBL7742397 0.80 MEN1 (0.61) HDAC1HDAC6L3MBTL1MEN1KMT2A
SCHEMBL2640927 0.79 MEN1 (0.69) HDAC1HDAC6L3MBTL1MEN1KMT2A
SCHEMBL29221819 0.79 HSP90AA1 (0.53) HDAC1HDAC6L3MBTL1MEN1KMT2A
SCHEMBL966694 0.79 MEN1 (0.69) HDAC1HDAC6L3MBTL1MEN1KMT2A
SCHEMBL18746216 0.79 MEN1 (0.59) HDAC1HDAC6L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5194660-A Processes for producing carbamates and isocyanates UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-16 US disclosed
EP-0083096-B1 PRODUCTION OF URETHANE COMPOUNDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-02-25 EP disclosed
US-4621149-A PLATINUM GROUP METAL HALOGEN OR HALOGEN COMPOUND ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-11-04 US disclosed
EP-0083096-A2 Production of urethane compounds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-07-06 EP disclosed