SCHEMBL7995215

SCHEMBL7995215

O=C(Nc1ccccc1)c1cccc(N=Nc2ccccc2)c1N=Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
RAB9A P51151 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
NPC1 O15118 2/20 0.57
MAPK1 P28482 1/20 0.57
ALDH1A1 P00352 4/20 0.50
CYP2C19 P33261 1/20 0.49
HPGD P15428 4/20 0.49
KDM4E B2RXH2 4/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
BCAT2 O15382 1/20 0.47
METAP2 P50579 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL4903429 0.81 ALDH1A1 (0.63) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL20194015 0.76 PTPN1 (0.67) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL17472006 0.76 PTPN1 (0.67) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL27502832 0.73 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2RAB9ATDP1
SCHEMBL6657740 0.73 ALDH1A1 (0.60) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL437231 0.73 ALDH1A1 (0.87) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL28929580 0.73 F2 (0.61) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL31156728 0.73 F2 (0.61) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL14130013 0.73 MAPT (0.68) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL30963829 0.73 MAPT (0.72) MEN1KMT2AMAPTSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294110-B1 Color canceling marking systems ROHM AND HAAS COMPANY 2001-09-25 US disclosed