SCHEMBL29612166

SCHEMBL29612166

O=c1cc(-c2ccccc2)c2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
HTT P42858 3/20 1.00
MAPK1 P28482 1/20 1.00
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
RXFP1 Q9HBX9 1/20 0.67
KDM4E B2RXH2 8/20 0.61
ALDH1A1 P00352 5/20 0.61
TNKS2 Q9H2K2 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
LMNA P02545 3/20 0.57
HSD17B10 Q99714 2/20 0.55
CTSV O60911 1/20 0.55
TUBB4A P04350 1/20 0.55
TP53 P04637 1/20 0.55
TUBB P07437 1/20 0.55
CTSL P07711 1/20 0.55
TUBA3C P0DPH7 1/20 0.55

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
SCHEMBL28133652 1.00 HPGD (1.00) HPGDSMN1; SMN2HTTMAPK1MEN1
SCHEMBL1173520 1.00 HPGD (1.00) HPGDSMN1; SMN2HTTMAPK1MEN1
SCHEMBL8987418 0.85 HPGD (0.74) HPGDSMN1; SMN2HTTMAPK1MEN1
SCHEMBL8987046 0.85 HPGD (0.74) HPGDSMN1; SMN2HTTMAPK1MEN1
SCHEMBL8986955 0.85 HPGD (0.74) HPGDSMN1; SMN2HTTMAPK1MEN1
SCHEMBL8987475 0.83 HPGD (0.70) HPGDSMN1; SMN2HTTMAPK1MEN1
SCHEMBL8987096 0.83 HPGD (0.70) HPGDSMN1; SMN2HTTMAPK1MEN1
SCHEMBL12871194 0.82 HPGD (0.69) HPGDSMN1; SMN2HTTMAPK1MEN1
SCHEMBL8986966 0.81 KDM4E (0.71) HPGDSMN1; SMN2HTTMAPK1MEN1
SCHEMBL31677372 0.81 KDM4E (0.71) HPGDSMN1; SMN2HTTMAPK1MEN1

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-111825722-B Saturated red-light-emitting fluorenyl benzoquinoline iridium complex 北京印刷学院 2023-06-09 CN claimed
EP-4355330-A1 EGFR INHIBITOR AND PERK ACTIVATOR IN COMBINATION THERAPY AND THEIR USE FOR TREATING CANCER Genentech, Inc. (US) 2024-04-24 EP disclosed
CN-111825722-B Saturated red-light-emitting fluorenyl benzoquinoline iridium complex 北京印刷学院 2023-06-09 CN disclosed
WO-2022265950-A1 EGFR INHIBITOR AND PERK ACTIVATOR IN COMBINATION THERAPY AND THEIR USE FOR TREATING CANCER GENENTECH, INC. (US) 2022-12-22 WO disclosed
CN-110248934-B Heteroaryl PAD4 inhibitors 帕德罗科治疗公司 2022-05-24 CN disclosed