SCHEMBL8084820

SCHEMBL8084820

O=C(CSc1ccnc2ccccc12)c1ccc(N2CCN(c3ccc(Br)cc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
RAB9A P51151 2/20 0.44
MAPT P10636 5/20 0.43
POLB P06746 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 2/20 0.43
ALOX12 P18054 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
RXFP1 Q9HBX9 2/20 0.41
RECQL P46063 1/20 0.40
THRB P10828 1/20 0.39
METAP1 P53582 1/20 0.39

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
SCHEMBL8088254 0.89 ADRA2A (0.51) ALDH1A1RAB9AMAPTPOLBNPC1
SCHEMBL8084826 0.89 NPC1 (0.50) ALDH1A1RAB9AMAPTPOLBNPC1
SCHEMBL8089852 0.89 ALDH1A1 (0.46) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL8076727 0.88 MAPT (0.51) ALDH1A1RAB9AMAPTPOLBMEN1
SCHEMBL8084676 0.88 CCNC (0.46) ALDH1A1RAB9AMAPTPOLBNPC1
Hydrochloric Acid SCHEMBL8076732 0.86 ADRB2 (0.47) ALDH1A1MAPTPOLBHPGDHSD17B10
SCHEMBL8088295 0.86 MAPT (0.43) ALDH1A1RAB9AMAPTPOLBMEN1
SCHEMBL8084112 0.85 MAPT (0.48) ALDH1A1MAPTPOLBKMT2AHPGD
SCHEMBL8076752 0.85 MEN1 (0.42) ALDH1A1RAB9AMAPTPOLBMEN1
SCHEMBL8084819 0.85 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AHPGD

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
US-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed