SCHEMBL8308033

SCHEMBL8308033

Cc1ccc(N)cc1OCc1nccn1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.40
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RET P07949 1/20 0.37
SYK P43405 1/20 0.36
FDPS P14324 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35

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
SCHEMBL8308040 0.89 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTGABRA1
SCHEMBL4030728 0.82 KMT2A (0.44) MEN1KMT2AALDH1A1MAPTGABRA1
SCHEMBL6284886 0.75 MEN1 (0.48) MEN1KMT2AALDH1A1GABRA1GABRG2
SCHEMBL27299549 0.71 KMT2A (0.51) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL12409075 0.71 NPC1 (0.50) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL6190711 0.71 SYK (0.69) SYK
SCHEMBL8307415 0.71 SYK (0.47) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL2977766 0.70 MEN1 (0.41) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL5656288 0.70 KMT2A (0.37) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL8310019 0.70 ALDH1A1 (0.51) ALDH1A1HPGDMAPTPOLBSYK

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-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed