SCHEMBL30713239

SCHEMBL30713239

COC(=O)c1nnc2c(Cl)cc(SCc3ccccc3)cn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 2/20 0.39
FFAR1 O14842 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NOTUM Q6P988 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37
DRD2 P14416 2/20 0.36

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
SCHEMBL31258785 0.89 ALDH1A1 (0.42) ALDH1A1HPGDTSHRKDM4EMAPT
SCHEMBL30713208 0.86 KDM4E (0.39) ALDH1A1MAPK1KDM4EMAPTMEN1
SCHEMBL30713202 0.82 KMT2A (0.43) ALDH1A1HPGDTSHRPKML3MBTL1
SCHEMBL31258770 0.80 KDM4E (0.37) ALDH1A1HPGDPKMMAPK1KDM4E
SCHEMBL30713218 0.77 NPC1 (0.42) ALDH1A1HPGDTSHRMAPK1KDM4E
SCHEMBL29267300 0.74 ALDH1A1 (0.45) ALDH1A1HPGDTSHRKDM4ETDP1
SCHEMBL29267236 0.74 EGLN1 (0.39) ALDH1A1HPGDPKMKDM4EMAPT
SCHEMBL3165801 0.73 L3MBTL1 (0.52) ALDH1A1HPGDTSHRPKML3MBTL1
SCHEMBL31258741 0.72 EPHB3 (0.38) ALDH1A1MAPK1KDM4EMAPTMEN1
SCHEMBL30713232 0.72 HTT (0.37) ALDH1A1HPGDTSHRKDM4EMAPT

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-4549438-A1 FIVE-MEMBERED AND SIX-MEMBERED NITROGEN-CONTAINING COMPOUND, AND INTERMEDIATE, PREPARATION METHOD AND USE THEREOF Hangzhou Synrx Therapeutics Biomedical Technology Co., Ltd. (CN) 2025-05-07 EP disclosed
CN-117304183-A Five-membered and six-membered nitrogen-containing compound, intermediate thereof, preparation method and application 杭州圣域生物医药科技有限公司 2023-12-29 CN disclosed