SCHEMBL29481102

SCHEMBL29481102

Nc1c(Br)ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 5/20 0.50
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP2A6 P11509 2/20 0.50
HPGD P15428 3/20 0.46
CYP3A4 P08684 1/20 0.46
KEAP1 Q14145 1/20 0.46
HPRT1 P00492 2/20 0.46
POLB P06746 2/20 0.45
NCEH1 Q6PIU2 1/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
HKDC1 Q2TB90 1/20 0.42
CYP1B1 Q16678 2/20 0.42

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
SCHEMBL692053 1.00 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRTDP1CYP2A6
SCHEMBL18907355 0.81 ALDH1A1 (0.41) ALDH1A1HSD17B10TSHRTDP1CYP2A6
SCHEMBL11211431 0.80 ALDH1A1 (0.45) ALDH1A1HSD17B10TSHRTDP1CYP2A6
SCHEMBL29578671 0.76 PTPN22 (0.60) ALDH1A1HSD17B10TSHRTDP1CYP2A6
SCHEMBL7991059 0.76 PTPN22 (0.60) ALDH1A1HSD17B10TSHRTDP1CYP2A6
SCHEMBL144625 0.76 PTPN22 (0.60) ALDH1A1HSD17B10TSHRTDP1CYP2A6
SCHEMBL18871170 0.76 POLB (0.50) ALDH1A1HSD17B10POLBKDM4EMEN1
SCHEMBL1187756 0.75 POLB (0.60) ALDH1A1HSD17B10TSHRTDP1CYP2A6
SCHEMBL64806 0.75 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRTDP1CYP2A6
SCHEMBL31390038 0.75 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRTDP1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119899193-A Preparation method based on diaryl carbazole material 西北工业大学 2025-04-29 CN disclosed
CN-119735604-A Copper complex and organic electroluminescent device 深圳大学 2025-04-01 CN disclosed
EP-4347041-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS Taiho Pharmaceutical Co., Ltd. (JP) 2024-04-10 EP disclosed
EP-4214208-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE The Johns Hopkins University (US) 2023-07-26 EP disclosed
WO-2022250170-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2022-12-01 WO disclosed
WO-2022060805-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE THE JOHNS HOPKINS UNIVERSITY (US) 2022-03-24 WO disclosed