SCHEMBL23845574

SCHEMBL23845574

In1cc(-c2ccccc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.39
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDR P35968 3/20 0.38
NOTUM Q6P988 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
GRK5 P34947 1/20 0.37
MAPK8 P45983 1/20 0.37
CSNK1A1 P48729 1/20 0.37
ACVR1 Q04771 1/20 0.37
PTK2 Q05397 1/20 0.37

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
SCHEMBL92380 0.74 L3MBTL1 (0.57) L3MBTL1ALDH1A1ATMNPC1NFKB1
SCHEMBL18811851 0.74 ALDH1A1 (0.46) ALDH1A1KDRCYP3A4KDM4E
SCHEMBL244970 0.73 KDR (0.56) L3MBTL1KDRACVR1DYRK1AEPHB4
SCHEMBL28816219 0.73 L3MBTL1 (0.50) L3MBTL1ALDH1A1ATMNPC1NFKB1
SCHEMBL27684583 0.73 L3MBTL1 (0.50) L3MBTL1ALDH1A1ATMNPC1NFKB1
SCHEMBL3753666 0.73 L3MBTL1 (0.50) L3MBTL1ALDH1A1ATMNPC1NFKB1
SCHEMBL26785663 0.72 L3MBTL1 (0.65) L3MBTL1ALDH1A1KDREPHB4CYP3A4
SCHEMBL515503 0.71 GAA (0.59) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20774126 0.71 KDR (0.55) L3MBTL1KDRACVR1DYRK1AEPHB4
Ammonia Solution, Strong SCHEMBL18398465 0.71 KDR (0.55) L3MBTL1KDRACVR1DYRK1AEPHB4

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
WO-2021188938-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed