SCHEMBL31712945

SCHEMBL31712945

c1ccc2c3c(ccc2c1)SSNNC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 3/20 0.35
CYP2A6 P11509 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.34
HPRT1 P00492 1/20 0.33
KDM4E B2RXH2 3/20 0.32
CYP1A2 P05177 2/20 0.32
HPGD P15428 2/20 0.32
CYP2C19 P33261 2/20 0.32
HTT P42858 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
NCOA1 Q15788 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
GLA P06280 1/20 0.32
CYP2C9 P11712 1/20 0.32
SIRT1 Q96EB6 1/20 0.32

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
SCHEMBL31712974 0.83 ALDH1A1 (0.38) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL31712924 0.77 ALDH1A1 (0.35) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL5699226 0.72 HSD17B10 (0.41) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL926548 0.69 HSD17B10 (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL31712929 0.69 KDM4E (0.41) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL31712932 0.68 HSD17B10 (0.37) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL31713002 0.67 RYR2 (0.41)
SCHEMBL1159909 0.67 HSD17B10 (0.44) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL3076762 0.67 HSD17B10 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL1801714 0.66 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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
US-20250338712-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO LTD (KR) 2025-10-30 US claimed
US-20250338712-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO LTD (KR) 2025-10-30 US disclosed