SCHEMBL9719865

SCHEMBL9719865

CCC(=O)Nc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
LMNA P02545 2/20 0.62
EGFR P00533 1/20 0.58
ERBB2 P04626 1/20 0.58
ERBB4 Q15303 1/20 0.58
SMN1; SMN2 Q16637 9/20 0.57
RAB9A P51151 8/20 0.57
NPC1 O15118 6/20 0.57
ALDH1A1 P00352 4/20 0.57
MAPT P10636 3/20 0.57
PARP10 Q53GL7 1/20 0.57
KDM4E B2RXH2 2/20 0.54
MITF O75030 1/20 0.54
PKM P14618 1/20 0.54
GAA P10253 1/20 0.50
LTA4H P09960 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 2/20 0.49

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
SCHEMBL9719803 0.86 RNF4 (0.57) LMNASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL1193236 0.86 PARP10 (0.59) MEN1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL11613346 0.83 PARP10 (0.56) LMNASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL14037350 0.81 PARP10 (0.52) LMNAEGFRERBB2ERBB4SMN1; SMN2
SCHEMBL2170643 0.80 LTA4H (0.76) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL9719811 0.80 GPBAR1 (0.62) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL22967626 0.79 ALDH1A1 (0.55) SMN1; SMN2RAB9ANPC1ALDH1A1PARP10
SCHEMBL23537856 0.78 SMN1; SMN2 (0.58) LMNASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL6977226 0.78 ALDH1A1 (0.58) LMNASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL22967405 0.77 ALDH1A1 (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5157039-A Lipoxygenase inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1992-10-20 US disclosed
US-5109009-A QUINOLINE AND PYRIDINE COMPOUNDS AND INHIBITION OF 5-LIPOXYGENASES THEREWITH LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1992-04-28 US disclosed
US-4826987-A Pyridyl and quinoline derivatives LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1989-05-02 US disclosed