SCHEMBL9719803

SCHEMBL9719803

O=C(CCl)Nc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNF4 P78317 1/20 0.57
PARP10 Q53GL7 1/20 0.57
SMN1; SMN2 Q16637 7/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
LMNA P02545 2/20 0.53
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MITF O75030 2/20 0.51
PKM P14618 1/20 0.51
HTT P42858 2/20 0.51
CYP1A2 P05177 1/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C19 P33261 1/20 0.51
LTA4H P09960 1/20 0.50
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
CA1 P00915 2/20 0.48

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
SCHEMBL9719865 0.86 MEN1 (0.62) PARP10SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL1193236 0.83 PARP10 (0.59) PARP10SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9719826 0.81 EGFR (0.59) SMN1; SMN2NPC1RAB9AHTTGLA
SCHEMBL3224230 0.80 LTA4H (0.76) RNF4SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL11613346 0.80 PARP10 (0.56) PARP10SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL18356194 0.79 PARP10 (0.69) PARP10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL23537856 0.78 SMN1; SMN2 (0.58) PARP10SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL14037350 0.78 PARP10 (0.52) PARP10SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5485718 0.76 RAB9A (0.74) PARP10SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL23747359 0.76 CNR1 (0.61) SMN1; SMN2NPC1RAB9AHTTGLA

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