SCHEMBL26599180

SCHEMBL26599180

CC(c1ccc(Cl)cc1)c1nnc(N)s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.70
SMN1; SMN2 Q16637 4/20 0.50
BRD4 O60885 1/20 0.50
KDM4E B2RXH2 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
MGAM O43451 2/20 0.47
GAA P10253 2/20 0.47
SI P14410 2/20 0.47
MGAM2 Q2M2H8 2/20 0.47
NOTUM Q6P988 1/20 0.47
ALDH1A1 P00352 5/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 2/20 0.43
FBP1 P09467 1/20 0.42
ADRB2 P07550 1/20 0.42
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL26599235 0.83 KMT2A (0.70) KMT2ASMN1; SMN2BRD4KDM4ERAB9A
SCHEMBL11887813 0.82 KMT2A (1.00) KMT2ASMN1; SMN2BRD4KDM4ERAB9A
SCHEMBL11334426 0.77 KMT2A (0.61) KMT2ASMN1; SMN2BRD4KDM4ERAB9A
SCHEMBL11385461 0.76 ALDH1A1 (0.77) KMT2ASMN1; SMN2BRD4KDM4EHPGD
SCHEMBL11332441 0.75 KMT2A (0.58) KMT2ASMN1; SMN2BRD4KDM4ERAB9A
SCHEMBL3733227 0.73 KMT2A (0.61) KMT2ASMN1; SMN2BRD4KDM4ERAB9A
SCHEMBL22717633 0.72 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2BRD4KDM4ERAB9A
SCHEMBL3904820 0.72 ALDH1A1 (0.48) KMT2ASMN1; SMN2BRD4KDM4ERAB9A
SCHEMBL34467571 0.71 ADRB2 (0.41) KMT2ASMN1; SMN2KDM4ERAB9ANPC1
Methylamine SCHEMBL6499701 0.70 ADRB2 (0.64) BRD4HPGDLMNAADRB2

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-2023202623-A1 POLQ INHIBITOR COMPOUND AND USE THEREOF 南京再明医药有限公司 2023-10-26 WO disclosed