SCHEMBL30161801

SCHEMBL30161801

c1ccc(-c2cnc3ccccc3n2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
LMNA P02545 3/20 0.58
CCR1 P32246 3/20 0.58
CCR5 P51681 3/20 0.58
CCR8 P51685 3/20 0.58
CYP1A2 P05177 3/20 0.58
POLB P06746 1/20 0.58
METAP1 P53582 1/20 0.58
BLM P54132 1/20 0.58
HIF1A Q16665 1/20 0.58
DOHH Q9BU89 1/20 0.58
P4HTM Q9NXG6 1/20 0.58
SMN1; SMN2 Q16637 6/20 0.56
TP53 P04637 4/20 0.56
ALOX15 P16050 2/20 0.56
HTT P42858 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ALPL P05186 1/20 0.56
HSP90AA1 P07900 1/20 0.56

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
SCHEMBL3686490 1.00 KDM4E (0.58) KDM4ELMNACCR1CCR5CCR8
SCHEMBL19066619 0.98 KDM4E (0.56) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29942654 0.87 NPC1 (0.63) KDM4ECYP1A2SMN1; SMN2ALOX15L3MBTL1
SCHEMBL29614829 0.87 NPC1 (0.63) KDM4ECYP1A2SMN1; SMN2ALOX15L3MBTL1
SCHEMBL29966674 0.87 NPC1 (0.63) KDM4ECYP1A2SMN1; SMN2ALOX15L3MBTL1
SCHEMBL3076524 0.87 NPC1 (0.63) KDM4ECYP1A2SMN1; SMN2ALOX15L3MBTL1
SCHEMBL13154419 0.84 KDM4E (0.58) KDM4ELMNACCR1CCR5CCR8
Phenazine SCHEMBL25380403 0.84 KDM4E (0.74) KDM4ELMNACCR1CCR5CCR8
SCHEMBL12971527 0.82 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL11992044 0.82 TGFBR1 (0.60) KDM4ELMNACCR1CCR5CCR8

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-115485025-A Compounds and methods for modulating splicing 雷密克斯医疗公司 2022-12-16 CN disclosed