SCHEMBL29616611

SCHEMBL29616611

NCCCn1c(=O)[nH]c2cc(C(=O)Nc3nnc(-c4ccco4)s3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
KDM4E B2RXH2 13/20 0.51
NPC1 O15118 9/20 0.51
ALDH1A1 P00352 9/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
HSD17B10 Q99714 4/20 0.51
TP53 P04637 2/20 0.51
GLA P06280 2/20 0.51
HPGD P15428 5/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 3/20 0.48
XBP1 P17861 1/20 0.48
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.40
CSNK2A2 P19784 1/20 0.40

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
SCHEMBL15174879 1.00 RAB9A (0.55) RAB9AMEN1KMT2AKDM4ENPC1
SCHEMBL15174964 0.92 KDM4E (0.49) RAB9AMEN1KMT2AKDM4ENPC1
SCHEMBL15174771 0.91 RAB9A (0.55) RAB9AMEN1KMT2AKDM4ENPC1
SCHEMBL15605666 0.91 RAB9A (0.57) RAB9AMEN1KMT2AKDM4ENPC1
SCHEMBL15183155 0.90 RAB9A (0.57) RAB9AMEN1KMT2AKDM4ENPC1
SCHEMBL22862013 0.85 KDM4E (0.57) RAB9AMEN1KMT2AKDM4ENPC1
SCHEMBL15183006 0.82 MEN1 (0.53) RAB9AMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL24918857 0.81 KDM4E (0.55) RAB9AMEN1KMT2AKDM4ENPC1
SCHEMBL15174269 0.81 KDM4E (0.51) RAB9AMEN1KMT2AKDM4ENPC1
SCHEMBL24919874 0.81 POLB (0.57) RAB9AMEN1KMT2AKDM4ENPC1

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
EP-3993818-A2 CD38-BINDING AGENTS AND USES THEREOF Kleo Pharmaceuticals, Inc. (US) 2022-05-11 EP disclosed
CN-114401732-A CD38 binding agents and uses thereof 克莱奥药品有限公司 2022-04-26 CN disclosed