SCHEMBL30867134

SCHEMBL30867134

Oc1ncccc1-c1nc(NCCc2c[nH]c3ccc(Cl)cc23)c2ncsc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
IP6K1 Q92551 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SNCA P37840 8/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
USP2 O75604 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP2C19 P33261 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 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
SCHEMBL27320856 1.00 HPGD (0.44) HPGDIP6K1LMNASMN1; SMN2SNCA
SCHEMBL27320853 0.90 IP6K1 (0.43) HPGDIP6K1LMNASMN1; SMN2SNCA
SCHEMBL27319925 0.90 GAA (0.44) HPGDLMNASMN1; SMN2MTNR1AMTNR1B
SCHEMBL30867158 0.90 GAA (0.44) HPGDLMNASMN1; SMN2MTNR1AMTNR1B
SCHEMBL30867208 0.90 CYP1A2 (0.43) LMNASNCAMTNR1AMTNR1BUSP2
SCHEMBL27319999 0.90 CYP1A2 (0.43) LMNASNCAMTNR1AMTNR1BUSP2
SCHEMBL30867136 0.89 NQO1 (0.48) IP6K1LMNASMN1; SMN2USP2CYP1A2
SCHEMBL27318685 0.89 NQO1 (0.48) IP6K1LMNASMN1; SMN2USP2CYP1A2
SCHEMBL30867148 0.88 CYP1A2 (0.55) LMNASMN1; SMN2USP2CYP1A2CYP3A4
SCHEMBL27320795 0.88 CYP1A2 (0.55) LMNASMN1; SMN2USP2CYP1A2CYP3A4

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