SCHEMBL30336754

SCHEMBL30336754

O=C(Oc1cnccn1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.51
LMNA P02545 6/20 0.51
HSD17B10 Q99714 1/20 0.51
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
METAP2 P50579 1/20 0.45
METAP1 P53582 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
F2 P00734 1/20 0.44
APP P05067 1/20 0.43
GAA P10253 1/20 0.43
HCAR3 P49019 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42

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
SCHEMBL2514952 1.00 KMT2A (0.51) KMT2ALMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL2514931 0.98 KMT2A (0.50) KMT2ALMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL27479651 0.91 TSHR (0.48) KMT2ALMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL20298354 0.88 ALDH1A1 (0.57) KMT2ALMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL28996119 0.88 HSD17B10 (0.56) KMT2ALMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL15572574 0.85 KMO (0.47) KMT2ALMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL15572594 0.85 KMO (0.47) KMT2ALMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL15572964 0.85 KMO (0.47) KMT2ALMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL15573500 0.85 KMO (0.47) KMT2ALMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL2829058 0.80 LMNA (0.53) KMT2ALMNATSHRSMN1; SMN2METAP2

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-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed
WO-2023083330-A1 DRAK2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 百极优棠(广东)医药科技有限公司 2023-05-19 WO disclosed