SCHEMBL6822229

SCHEMBL6822229

OCc1nc(-c2ccc(Br)cc2)cs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.67
MAPT P10636 9/20 0.67
SMN1; SMN2 Q16637 7/20 0.67
MEN1 O00255 7/20 0.67
KMT2A Q03164 7/20 0.67
ALDH1A1 P00352 6/20 0.67
NPC1 O15118 5/20 0.67
GAA P10253 2/20 0.67
LMNA P02545 5/20 0.65
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55

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
SCHEMBL28476993 0.84 SMN1; SMN2 (0.64) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL16181388 0.82 ATP4A (0.53) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4190948 0.82 ALDH1A1 (0.67) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL10222540 0.82 ALDH1A1 (0.58) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL201471 0.82 MEN1 (0.65) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2706151 0.82 RAB9A (0.65) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL21812776 0.82 RAB9A (0.66) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1745076 0.81 LOXL2 (0.64) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL12492865 0.79 LMNA (1.00) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL201719 0.78 L3MBTL1 (0.60) RAB9AMAPTSMN1; SMN2MEN1KMT2A

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
WO-2004046141-A1 NEW TRICYCLIC ANGIOTENSIN II AGONISTS VICORE PHARMA AB (SE) 2004-06-03 WO disclosed