SCHEMBL28292574

SCHEMBL28292574

CC(C)(O)Cc1ccc(NC(=O)O)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 7/20 0.41
▸ AR P10275 1/20 0.40
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL28940875 0.79 P4HTM (0.38) P4HTMARMEN1KMT2APABPC1
SCHEMBL1900631 0.78 PDE7A (0.41) P4HTMMEN1KMT2APABPC1TRPV1
SCHEMBL28940889 0.77 PRKCI (0.46) ARKMT2A
SCHEMBL16881120 0.77 P4HTM (0.39) P4HTMMEN1KMT2APABPC1SMN1; SMN2
SCHEMBL17785067 0.77 TRPV1 (0.37) P4HTMARMEN1KMT2APABPC1
SCHEMBL16246131 0.76 TRPV1 (0.39) P4HTMMEN1KMT2APABPC1TRPV1
SCHEMBL28940981 0.76 P4HTM (0.41) P4HTMARMEN1KMT2APABPC1
SCHEMBL2611195 0.75 L3MBTL1 (0.55) ARMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL22341998 0.75 P4HTM (0.48) P4HTMADORA2ASMN1; SMN2NPC1RAB9A
SCHEMBL6919625 0.74 CCR1 (0.41) MEN1KMT2AMAPTRAB9AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 — — CN claimed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 — — CN disclosed
CN-109689647-A The compound that bicyclic heteroaryl replaces 百时美施贵宝公司 2019-04-26 — — CN disclosed
Send feedback