SCHEMBL5176914

SCHEMBL5176914

Fc1ccccc1C1NC(=S)Nc2ccc(Br)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 3/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
AR P10275 1/20 0.34
EPAS1 Q99814 1/20 0.34
JAK2 O60674 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
SCHEMBL5696272 0.83 CHRM1 (0.42) LMNAGAAALDH1A1KDM4EHTT
SCHEMBL1198667 0.73 MEN1 (0.42) LMNAMEN1KMT2AGABRA1GABRA5
SCHEMBL29857451 0.73 DHFR (0.50) LMNAGAAMEN1KMT2ATP53
SCHEMBL5696188 0.73 DHFR (0.50) LMNAGAAMEN1KMT2ATP53
SCHEMBL5177430 0.69 MAPT (0.50) GAAALDH1A1TDP1MEN1KMT2A
SCHEMBL3259108 0.68 MEN1 (0.48) LMNAGAAALDH1A1KDM4EHTT
SCHEMBL3259104 0.68 MEN1 (0.48) LMNAGAAALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL30710330 0.65 MEN1 (0.58) GAAMEN1KMT2A
SCHEMBL9567855 0.64 ALDH1A1 (0.54) LMNAGAAALDH1A1TDP1MEN1
SCHEMBL5176626 0.64 ALDH1A1 (0.54) LMNAGAAALDH1A1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807402-A1 QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS ANTIMITOTICS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID DERIVATIVES EMBL (DE) 2007-07-18 EP disclosed
WO-2006048308-A1 QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS ANTIMITOTICS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID DERIVATIVES EMBL (DE) 2006-05-11 WO disclosed