SCHEMBL5552956

SCHEMBL5552956

CNc1ccc(C(c2ccccc2N)c2nc(C)nc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.41
NCF1 P14598 1/20 0.35
SSTR4 P31391 1/20 0.34
KRAS P01116 1/20 0.34
SOS1 Q07889 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
GLA P06280 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
NQO2 P16083 1/20 0.33
MAOA P21397 1/20 0.33
DRD1 P21728 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
SCHEMBL2257191 0.80 KDM1A (0.47) KDM1ASSTR4KRASSOS1ALDH1A1
SCHEMBL5553085 0.71 EGFR (0.46) KDM1ANCF1ALDH1A1HPGDKDM4E
SCHEMBL2256171 0.67 ALDH1A1 (0.40) KDM1ANCF1SSTR4KRASSOS1
SCHEMBL16256145 0.65 HTT (0.46) NCF1SSTR4KRASSOS1ALDH1A1
SCHEMBL5559420 0.65 EDNRA (0.47) HSD17B10SMN1; SMN2LMNACYP1A2KMT2A
SCHEMBL5553117 0.65 EGFR (0.34) KDM1AALDH1A1KDM4ETDP1KMT2A
SCHEMBL2257478 0.65 KMT2A (0.52) KDM1AALDH1A1HSD17B10KDM4ESMN1; SMN2
SCHEMBL2263160 0.65 MAPT (0.42) KDM1ASSTR4KDM4ESMN1; SMN2ADORA3
SCHEMBL13578782 0.65 HTT (0.49) NCF1SSTR4ALDH1A1HPGDHSD17B10
SCHEMBL9321260 0.64 TSHR (0.59) KDM1AALDH1A1HSD17B10GLACHRM2

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-1833511-A2 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2007-09-19 EP disclosed
WO-2006074187-A2 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2006-07-13 WO disclosed