SCHEMBL11014231

SCHEMBL11014231

CN1c2ccc(Cl)cc2N2C(=O)C(c3ccccc3)SC12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.37
PDE4D Q08499 2/20 0.37
LMNA P02545 1/20 0.36
PDE3A Q14432 1/20 0.36
MDM2 Q00987 3/20 0.35
MMP2 P08253 1/20 0.35
ADRA1D P25100 2/20 0.34
ADRA1A P35348 2/20 0.34
ADRA1B P35368 2/20 0.34
HSD17B2 P37059 2/20 0.34
ADCY2 Q08462 1/20 0.34
RIPK1 Q13546 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
CACNA1F O60840 1/20 0.33

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
SCHEMBL11012052 0.85 SRD5A1 (0.36) MEN1KMT2A
SCHEMBL7320987 0.73 MEN1 (0.38) MMP2ADCY2MEN1HTTKMT2A
SCHEMBL11013024 0.72 ADORA3 (0.36) RIPK1MEN1HTTKMT2A
SCHEMBL11012610 0.69 SMN1; SMN2 (0.39) LMNAMEN1KMT2A
SCHEMBL23959122 0.64 OPRK1 (0.43) OPRK1PDE4DLMNAPDE3AMDM2
SCHEMBL28226709 0.64 CHEK1 (0.53) OPRK1PDE4DLMNAPDE3ACHRM2
SCHEMBL11419302 0.64 OPRK1 (0.54) OPRK1PDE4DLMNAPDE3ACHRM2
SCHEMBL11097045 0.64 LMNA (0.36) LMNAMEN1HTTKMT2A
SCHEMBL12429324 0.62 OPRK1 (0.59) OPRK1PDE4DLMNAPDE3AADCY2
SCHEMBL11658080 0.62 ATM (0.44) OPRK1PDE4DMEN1KMT2AGABRP

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-4520196-A α-Mercaptophenylacetic acid derivatives of imidazole-containing compounds and analogues thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1985-05-28 US disclosed