SCHEMBL7435899

SCHEMBL7435899

N=C(NO)c1nc(-c2cccc(Br)c2)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
ALDH1A1 P00352 3/20 0.57
RAB9A P51151 2/20 0.57
HPGD P15428 1/20 0.57
HK1 P19367 1/20 0.57
HKDC1 Q2TB90 1/20 0.57
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
POLB P06746 2/20 0.50
USP2 O75604 1/20 0.50
TNNI3 P19429 1/20 0.50
TNNT2 P45379 1/20 0.50
TNNC1 P63316 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49

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
SCHEMBL7444028 0.86 NR1H4 (0.44) MAPTALDH1A1RAB9AHPGDHK1
SCHEMBL7437716 0.84 ABL1 (0.52) MAPTRAB9AMEN1KMT2AGAA
SCHEMBL7429806 0.84 KDM4E (0.56) MAPTALDH1A1RAB9AHPGDHK1
SCHEMBL7437048 0.84 ATP4A (0.51) MAPTALDH1A1RAB9AHPGDHK1
SCHEMBL7441613 0.83 MAPT (0.50) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL7438464 0.82 MAPT (0.54) MAPTALDH1A1RAB9AHPGDMEN1
SCHEMBL7426082 0.81 MEN1 (0.51) MAPTALDH1A1MEN1KMT2AHDAC6
SCHEMBL7429088 0.81 CFTR (0.47) MAPTALDH1A1RAB9AHPGDHK1
SCHEMBL7431073 0.80 CSNK2A1 (0.57) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL7428965 0.80 RAB9A (0.55) MAPTALDH1A1RAB9AHPGDMEN1

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