SCHEMBL8832032

SCHEMBL8832032

Cc1ccc2nc3[nH]c4ccccc4nc-3c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.53
NPC1 O15118 10/20 0.53
SMN1; SMN2 Q16637 9/20 0.53
KDM4E B2RXH2 9/20 0.53
ALDH1A1 P00352 8/20 0.53
PKM P14618 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
HSD17B10 Q99714 3/20 0.53
TP53 P04637 3/20 0.53
ABCB11 O95342 1/20 0.53
GAA P10253 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
FGFR1 P11362 2/20 0.51
FLT1 P17948 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 5/20 0.50
MAPT P10636 5/20 0.50
LMNA P02545 3/20 0.50
PDPK1 O15530 1/20 0.50

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
SCHEMBL717809 0.82 NPC1 (0.67) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL30277951 0.82 NPC1 (0.67) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL3537031 0.78 FGFR1 (0.71) FGFR1FLT1PDPK1KDR
SCHEMBL14494930 0.78 KDM4E (0.60) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL14128976 0.78 NPC1 (0.68) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL21660759 0.76 MAPT (0.54) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL8957841 0.75 RAB9A (0.71) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4117255 0.75 NPC1 (0.71) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL14129024 0.75 NPC1 (0.61) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL276208 0.74 NPC1 (0.73) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5597921-A ANTITUMOR AGENTS, TREATMENT OF LEUKEMIA TAISHO PHARMACEUTICAL CO., LTD. (JP) 1997-01-28 US disclosed
EP-0238459-B1 SUBSTITUTED INDOLOQUINOXALINES Lundblad, Leif (SE) 1992-04-15 EP disclosed
US-4990510-A Viricides, anticancer agents LEIF LUNDBLAD (BE) 1991-02-05 US disclosed
EP-0238459-A1 Substituted indoloquinoxalines Lundblad, Leif (SE) 1987-09-23 EP disclosed
WO-1987004436-A1 SUBSTITUTED INDOLOQUINOXALINES LUNDBLAD, LEIF (SE) 1987-07-30 WO disclosed