SCHEMBL17054853

SCHEMBL17054853

c1ccc2c(c1)nnn2C1CCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ USP2 O75604 5/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ LMNA P02545 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ BAP1 Q92560 1/20 0.44
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ ACHE P22303 1/20 0.42
▸ POLB P06746 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ SLC9A1 P19634 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL806435 0.95 USP2 (0.49) ALDH1A1USP2L3MBTL1LMNANPSR1
SCHEMBL794476 0.76 HCAR3 (0.47) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL30839246 0.76 HCAR3 (0.47) ALDH1A1L3MBTL1LMNATSHRNPC1
SCHEMBL29175771 0.76 HCAR3 (0.47) ALDH1A1L3MBTL1LMNATSHRNPC1
SCHEMBL27164238 0.76 HCAR3 (0.39) ALDH1A1USP2LMNAKMT2APOLB
SCHEMBL8253693 0.75 USP2 (0.59) ALDH1A1USP2L3MBTL1LMNANPSR1
SCHEMBL13875589 0.75 USP2 (0.63) ALDH1A1USP2L3MBTL1LMNANPSR1
SCHEMBL5633033 0.74 USP2 (0.58) ALDH1A1USP2L3MBTL1LMNANPSR1
SCHEMBL23070283 0.74 LMNA (0.39) ALDH1A1USP2LMNANPSR1TSHR
SCHEMBL29152989 0.73 USP2 (0.66) ALDH1A1USP2L3MBTL1LMNANPSR1

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
WO-2017112853-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-06-29 — — WO disclosed
WO-2015131080-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2015-09-03 — — WO disclosed
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