SCHEMBL30437811

SCHEMBL30437811

O=C(O)c1cc([N+](=O)[O-])cc2ncccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ KDM4E B2RXH2 6/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ CASP6 P55212 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ CTSB P07858 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ IDO1 P14902 1/20 0.46
▸ TDO2 P48775 1/20 0.46
▸ POLB P06746 1/20 0.45

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
SCHEMBL9039039 0.80 KMT2A (0.41) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL30918539 0.77 MAPT (0.55) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL30122661 0.77 MEN1 (0.55) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL28553829 0.77 NQO2 (0.51) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4436189 0.77 MEN1 (0.55) MAPTALDH1A1MEN1KMT2AKDM4E
Quinoline SCHEMBL27446167 0.77 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8545403 0.77 MAPT (0.67) MAPTALDH1A1KDM4ENPC1HTT
SCHEMBL10464631 0.76 DHODH (0.49) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL25288117 0.76 HPGD (0.57) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL31048660 0.76 HPGD (0.57) MAPTALDH1A1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954810-A Regulator of fused ring derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-05-09 — — CN disclosed
CN-118302427-A Fused ring derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-07-05 — — CN disclosed
WO-2024094163-A1 POLYCYCLIC RING-FUSED DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海翰森生物医药科技有限公司 2024-05-10 — — WO disclosed
WO-2023098880-A1 FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-06-08 — — WO disclosed
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