SCHEMBL11601065

SCHEMBL11601065

C[C@H](N)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.62
TAAR1 Q96RJ0 5/20 0.52
SLC6A2 P23975 4/20 0.52
SLC6A3 Q01959 2/20 0.52
IDO1 P14902 2/20 0.52
SLC6A4 P31645 2/20 0.50
MAOA P21397 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
KCNJ1 P48048 1/20 0.49
KCNH2 Q12809 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL8986807 1.00 LOXL2 (0.62) LOXL2TAAR1SLC6A2SLC6A3IDO1
SCHEMBL5264530 1.00 LOXL2 (0.62) LOXL2TAAR1SLC6A2SLC6A3IDO1
Hydrochloric Acid SCHEMBL6849321 0.98 LOXL2 (0.60) LOXL2TAAR1SLC6A2SLC6A3IDO1
Hydrochloric Acid SCHEMBL6849318 0.98 LOXL2 (0.60) LOXL2TAAR1SLC6A2SLC6A3IDO1
Hydrochloric Acid SCHEMBL9116903 0.98 LOXL2 (0.60) LOXL2TAAR1SLC6A2SLC6A3IDO1
Hydrochloric Acid SCHEMBL9194807 0.92 ALDH1A1 (0.58) LOXL2TAAR1SLC6A2SLC6A3IDO1
SCHEMBL5715396 0.84 LOXL2 (0.55) LOXL2IDO1KCNJ1KCNH2MEN1
SCHEMBL16449786 0.83 KMT2A (0.49) LOXL2IDO1KCNJ1KCNH2MEN1
SCHEMBL19938078 0.81 LOXL2 (0.58) LOXL2IDO1KCNJ1KCNH2MEN1
SCHEMBL8855359 0.81 TSHR (0.55) LOXL2IDO1KCNJ1KCNH2

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-2024150597-A1 THERMOSETTING RESIN COMPOSITION, CURED FILM, SUBSTRATE, AND ELECTRONIC COMPONENT JNC株式会社 2024-07-18 WO disclosed
US-4066658-A RESOLUTION OF D,L-DEHYDROPROLINE HOFFMANN-LA ROCHE INC. (US) 1978-01-03 US disclosed