SCHEMBL11246095

SCHEMBL11246095

CC(=O)Nc1cccc(NCCCC(O)C(N)Oc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
TSHR P16473 3/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 1/20 0.43
ATM Q13315 1/20 0.42
MAPT P10636 3/20 0.42
HSD17B10 Q99714 1/20 0.42
BRAF P15056 1/20 0.42
CASR P41180 1/20 0.42
POLB P06746 1/20 0.41
NR4A1 P22736 1/20 0.41
ICMT O60725 1/20 0.41
AHR P35869 1/20 0.41

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
SCHEMBL11237839 0.83 MAPT (0.40) MTNR1AMTNR1BTSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL11236943 0.82 MAPT (0.39) MTNR1AMTNR1BTSHRMEN1KMT2A
SCHEMBL11234640 0.82 MEN1 (0.46) RAB9ANPC1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11230532 0.82 MAPT (0.46) SMN1; SMN2ALDH1A1MAPT
SCHEMBL11230239 0.79 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL11246090 0.79 MAPT (0.50) RAB9ANPC1SMN1; SMN2MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL11247369 0.78 ALDH1A1 (0.45) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL11240133 0.76 CTSK (0.49) RAB9ANPC1ALDH1A1MAPTCASR
SCHEMBL11244735 0.75 TSHR (0.36) SMN1; SMN2MTNR1AMTNR1BTSHRKMT2A
SCHEMBL11233874 0.75 SLC6A4 (0.39) RAB9ANPC1MEN1KMT2AALDH1A1

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-4356322-A ADRENERGIC STIMULANTS; CARDIOTONIC AGENTS VEB ARZNEIMITTELWERK DRESDEN (DD) 1982-10-26 US claimed