SCHEMBL30867153

SCHEMBL30867153

O=c1[nH]cccc1-c1nc(NCCc2c[nH]c3ncccc23)c2ncsc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.41
NQO1 P15559 1/20 0.39
CDK2 P24941 5/20 0.39
CCNT1 O60563 2/20 0.39
CCNA2 P20248 2/20 0.39
CDK9 P50750 2/20 0.39
LATS1 O95835 1/20 0.37
LATS2 Q9NRM7 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NSD2 O96028 1/20 0.36
GBA1 P04062 1/20 0.36
AURKA O14965 1/20 0.35
METAP1 P53582 1/20 0.34
HDAC1 Q13547 1/20 0.34
CCNE1 P24864 3/20 0.34
MET P08581 1/20 0.34
GSK3B P49841 1/20 0.34
USP2 O75604 1/20 0.33

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
SCHEMBL27318910 1.00 MTNR1A (0.41) MTNR1ANQO1CDK2CCNT1CCNA2
SCHEMBL30867175 0.89 NQO1 (0.46) NQO1CDK2CCNT1CCNA2CDK9
SCHEMBL27318674 0.89 NQO1 (0.46) NQO1CDK2CCNT1CCNA2CDK9
SCHEMBL27319295 0.88 NQO1 (0.39) NQO1CDK2CCNT1CCNA2CDK9
SCHEMBL30867193 0.88 NQO1 (0.39) NQO1CDK2CCNT1CCNA2CDK9
SCHEMBL27318928 0.86 MTNR1A (0.43) MTNR1ANQO1CDK2CCNT1CCNA2
SCHEMBL31534081 0.86 MTNR1A (0.37) MTNR1ANQO1CDK2CCNT1CCNA2
SCHEMBL27319322 0.86 MTNR1A (0.37) MTNR1ANQO1CDK2CCNT1CCNA2
SCHEMBL27319983 0.83 CYP1A2 (0.43) MTNR1AUSP2TP53CYP1A2CYP3A4
SCHEMBL27319910 0.83 ALDH1A1 (0.42) MTNR1AUSP2TP53CYP1A2CYP3A4

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-4598931-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2025-08-13 EP disclosed
WO-2024076300-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2024-04-11 WO disclosed