SCHEMBL7548538

SCHEMBL7548538

Nc1cc(N)c2ncccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
HSP90AA1 P07900 4/20 0.52
TSHR P16473 3/20 0.52
HSP90AB1 P08238 3/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CASP1 P29466 1/20 0.52
ATM Q13315 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CCR1 P32246 4/20 0.48
CCR8 P51685 4/20 0.48
LMNA P02545 2/20 0.48
CCR5 P51681 2/20 0.48
MMP2 P08253 2/20 0.48
GMNN O75496 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL2471617 0.82 SLC40A1 (0.47) KDM4EHSP90AA1TSHRHSP90AB1TP53
SCHEMBL6524376 0.80 HSP90AA1 (0.54) KDM4EHSP90AA1TSHRHSP90AB1TP53
SCHEMBL3038128 0.80 CASP6 (0.45) KDM4EHSP90AA1TSHRHSP90AB1TP53
SCHEMBL1611156 0.80 NR4A2 (0.53) KDM4EHSP90AA1TSHRHSP90AB1TP53
SCHEMBL2478261 0.80 PSMD14 (0.62) KDM4EHSP90AA1TSHRTP53MAPT
SCHEMBL13977909 0.80 PSMD14 (0.62) KDM4EHSP90AA1TSHRHSP90AB1TP53
SCHEMBL2944756 0.80 CCR1 (0.55) KDM4EHSP90AA1TSHRHSP90AB1TP53
SCHEMBL6526164 0.80 KDM4E (0.62) KDM4EHSP90AA1TSHRHSP90AB1TP53
SCHEMBL2938512 0.80 LMNA (0.56) KDM4EHSP90AA1TSHRHSP90AB1TP53
SCHEMBL15007502 0.80 KDM4E (0.48) KDM4EHSP90AA1TSHRHSP90AB1TP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed
WO-2002044284-A1 TRISAZO DYES BASF AKTIENGESELLSCHAFT (DE) 2002-06-06 WO disclosed
US-3956420-A CPOLYOLEFIN COMPOSITION FOR ELECTRICAL INSULATIONFERROCENE, 8-SUBSTITUTED QUINOLINE DAINICHI-NIPPON CABLES, LTD. (JA) 1976-05-11 US disclosed