SCHEMBL7435903

SCHEMBL7435903

NC(=NO)c1nc(-c2cccc(Br)c2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
MAPT P10636 3/20 0.60
RAB9A P51151 2/20 0.60
HPGD P15428 1/20 0.60
HK1 P19367 1/20 0.60
HKDC1 Q2TB90 1/20 0.60
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CSNK2A3 Q8NEV1 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
TNNI3 P19429 1/20 0.44
TNNT2 P45379 1/20 0.44
TNNC1 P63316 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL7444038 0.84 ALDH1A1 (0.51) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL7437724 0.83 ATP4A (0.61) ALDH1A1MAPTRAB9AGAALMNA
SCHEMBL7429814 0.83 KDM4E (0.60) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7437056 0.83 ATP4A (0.61) ALDH1A1MAPTRAB9ACSNK2A2CSNK2B
SCHEMBL7436415 0.83 MAPT (0.63) ALDH1A1MAPTRAB9AHPGDHK1
SCHEMBL7438472 0.82 RAB9A (0.59) ALDH1A1MAPTRAB9AHPGDMEN1
SCHEMBL7441627 0.82 ALDH1A1 (0.61) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL7426086 0.80 ALDH1A1 (0.51) ALDH1A1MAPTCSNK2A2CSNK2BCSNK2A1
SCHEMBL7429092 0.80 CFTR (0.47) ALDH1A1MAPTLMNAHTTHIF1A
SCHEMBL7428970 0.79 NPC1 (0.59) ALDH1A1MAPTRAB9AHPGDCSNK2A1

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
EP-0506194-B1 4-aryl-thiazole or imidazole derivatives AKZO NOBEL NV (NL) 1996-08-21 EP disclosed
US-5462959-A 4-aryl-imidazole derivatives AKZO N.V. (NL) 1995-10-31 US disclosed
US-5254575-A 4-aryl-thiazole derivatives AKZO N.V. (NL) 1993-10-19 US disclosed
EP-0506194-A1 4-aryl-thiazole or imidazole derivatives Akzo Nobel N.V. (NL) 1992-09-30 EP disclosed