SCHEMBL8432986

SCHEMBL8432986

COc1cccc(Cc2nc(CC(C)C(N)CO)no2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.46
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.40
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 2/20 0.38
DHFR P00374 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NMT1 P30419 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LTA4H P09960 1/20 0.36
HTR6 P50406 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
Hydrochloric Acid SCHEMBL8435756 0.99 TAAR1 (0.45) TAAR1PKML3MBTL1TSHRLMNA
SCHEMBL8438546 0.87 SMN1; SMN2 (0.47) PKML3MBTL1TSHRLMNAMEN1
Hydrochloric Acid SCHEMBL8437558 0.86 SMN1; SMN2 (0.46) PKML3MBTL1TSHRLMNAMEN1
Hydrochloric Acid SCHEMBL8495699 0.85 RAB9A (0.43) L3MBTL1TSHRLMNAMEN1KMT2A
SCHEMBL8433423 0.84 TDP1 (0.45) L3MBTL1TSHRLMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL8434788 0.83 TDP1 (0.44) L3MBTL1TSHRLMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL8435748 0.81 HTR2A (0.46) L3MBTL1LMNAMEN1HTTKMT2A
SCHEMBL8438754 0.78 TSHR (0.49) L3MBTL1TSHRLMNAMEN1KMT2A
SCHEMBL8433408 0.78 PRSS1 (0.49) PKML3MBTL1NPC1RAB9A
SCHEMBL2759551 0.78 PKM (0.52) PKML3MBTL1TSHRLMNAMEN1

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
US-5874585-A TREATMENT AND/OR PREVENTION OF ELASTASE-MEDIATED PROBLEMS SUCH AS ARTHRITIS, PERIODONTAL DISEASE, GLOMERULONEPHRITIS, DERMATITIS, PSORIASIS, CYSTIC FIBROSIS, CHRONIC BRONCHITIS, ALZHEIMER'S DISEASE CORTECH, INC. (US) 1999-02-23 US disclosed