SCHEMBL8308040

SCHEMBL8308040

Cc1cc(N)ccc1OCc1nccn1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
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
NOX1 Q9Y5S8 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
RET P07949 1/20 0.37
FDPS P14324 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL8308033 0.89 MEN1 (0.45) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL4030728 0.84 KMT2A (0.44) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL6284886 0.75 MEN1 (0.48) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL12409075 0.74 NPC1 (0.50) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL27299549 0.74 KMT2A (0.51) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL30354882 0.74 SYK (0.43) MEN1KMT2AHTR1ADRD2HTR7
SCHEMBL5656288 0.73 KMT2A (0.37) MEN1KMT2AFDPSNPC1RAB9A
SCHEMBL6068555 0.71 SYK (0.48) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL1406446 0.71 SYK (0.65) HTR1ADRD2
SCHEMBL20496733 0.70 ALDH1A1 (0.50) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2

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