SCHEMBL30189907

SCHEMBL30189907

C[C@H](O)COc1ncc(NC(=O)O)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ACACB O00763 3/20 0.34
F2RL3 Q96RI0 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
NAMPT P43490 1/20 0.33
PTPN1 P18031 1/20 0.33
HCAR3 P49019 1/20 0.32
NOTUM Q6P988 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RORC P51449 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL21379306 1.00 LMNA (0.40) LMNAACACBF2RL3MEN1KMT2A
SCHEMBL21379432 0.83 CYP1A2 (0.41) LMNAMEN1KMT2AMAPK1KDM4E
SCHEMBL21379552 0.78 NTRK1 (0.32) ACACB
SCHEMBL22341910 0.76 ABL1 (0.39) ACACBKMT2AALDH1A1P4HTMPTPN1
SCHEMBL21379604 0.76 ABL1 (0.39) ACACBKMT2AALDH1A1P4HTMPTPN1
SCHEMBL21379601 0.76 ABL1 (0.39) ACACBKMT2AALDH1A1P4HTMPTPN1
SCHEMBL15880582 0.75 KMT2A (0.41) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL21407998 0.75 ABL1 (0.40) LMNAF2RL3KMT2AALDH1A1P4HTM
SCHEMBL28941087 0.74 DGAT1 (0.36) MEN1KMT2AP4HTMHDAC6
SCHEMBL21379329 0.74 APLNR (0.38) LMNAKDM4EP4HTMPTPN1NPC1

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
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed