SCHEMBL7315860

SCHEMBL7315860

COC(=O)c1cc2ccc(C(=O)Nc3ccccc3)cc2s1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.60
HTT P42858 1/20 0.60
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
PLAU P00749 3/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN11 Q06124 1/20 0.49
PRSS12 P56730 1/20 0.48

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
SCHEMBL8291894 0.85 HDAC1 (0.80) HDAC1RAB9ANPC1ALDH1A1LMNA
SCHEMBL7320326 0.85 PLAU (0.59) HDAC1HTTRAB9ANPC1ALDH1A1
SCHEMBL1886146 0.82 HDAC1 (0.67) HDAC1RAB9ANPC1ALDH1A1LMNA
SCHEMBL7320266 0.82 PLAU (0.65) HDAC1RAB9ANPC1ALDH1A1LMNA
SCHEMBL1886145 0.82 HDAC1 (0.80) HDAC1HTTRAB9ANPC1ALDH1A1
SCHEMBL15697561 0.80 HDAC1 (0.74) HDAC1HTTRAB9ANPC1MEN1
SCHEMBL21446740 0.78 HDAC1 (0.58) HDAC1HTTRAB9ANPC1ALDH1A1
SCHEMBL1886911 0.78 HDAC1 (0.78) HDAC1HTTRAB9ANPC1ALDH1A1
SCHEMBL12597703 0.77 HDAC1 (0.52) HDAC1ALDH1A1LMNAMEN1KMT2A
SCHEMBL17149306 0.77 HDAC1 (0.63) HDAC1HTTRAB9ANPC1ALDH1A1

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
US-6207701-B1 AS ANTI-ANGIOGENIC, ANTI-ARTHRITIC, ANTI-INFLAMMATORY, ANTI-RETINOPATHIC, CONTRACEPTIVE AND TUMORISTATIC AGENTS ABBOTT LABORATORIES 2001-03-27 US disclosed