SCHEMBL30579399

SCHEMBL30579399

COC(=O)c1cnn2cncnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
STING1 Q86WV6 2/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.38
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
HTR2C P28335 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL29728025 0.88 LMNA (0.42) LMNASTING1ALDH1A1KDM4ENPC1
SCHEMBL30579393 0.82 KDM4E (0.39) ALDH1A1KDM4EKMT2APOLBIRAK4
SCHEMBL30579391 0.79 IRAK4 (0.41) KDM4ENPC1RAB9AIRAK4
SCHEMBL19045790 0.75 PDE2A (0.57) LMNAALDH1A1KDM4ENPC1RAB9A
SCHEMBL19030768 0.75 LMNA (0.72) LMNASTING1ALDH1A1KDM4ENPC1
SCHEMBL19029939 0.74 LMNA (0.47) LMNASTING1ALDH1A1KDM4ENPC1
SCHEMBL10071025 0.74 LMNA (0.44) LMNASTING1ALDH1A1KDM4ENPC1
SCHEMBL29728005 0.72 KDM4E (0.49) LMNAALDH1A1KDM4ENPC1RAB9A
SCHEMBL19029896 0.72 PDE2A (0.45) LMNAALDH1A1KDM4EKMT2AHPGD
SCHEMBL30579412 0.70 KDM4E (0.43) LMNAALDH1A1KDM4EHPGDHSD17B10

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-110831600-B Indole AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2023-10-17 CN disclosed