SCHEMBL30857795

SCHEMBL30857795

Cc1c(N)ccc([N+](=O)[O-])c1F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.53
TDP1 Q9NUW8 7/20 0.47
ALDH1A1 P00352 6/20 0.47
CYP3A4 P08684 5/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
ALOX15 P16050 1/20 0.47
LMNA P02545 2/20 0.44
RECQL P46063 1/20 0.44
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL1635417 1.00 TSHR (0.53) TSHRTDP1ALDH1A1CYP3A4MEN1
SCHEMBL21373613 0.86 TSHR (0.52) TSHRTDP1ALDH1A1CYP3A4MEN1
SCHEMBL4063467 0.83 ALDH1A1 (0.50) TSHRTDP1ALDH1A1CYP3A4MEN1
SCHEMBL1683191 0.83 TSHR (0.57) TSHRTDP1ALDH1A1CYP3A4MEN1
SCHEMBL1636077 0.83 TDP1 (0.60) TSHRTDP1ALDH1A1CYP3A4MAPT
SCHEMBL2056814 0.82 TSHR (0.60) TSHRTDP1ALDH1A1CYP3A4MEN1
SCHEMBL28065463 0.80 TSHR (0.53) TSHRTDP1ALDH1A1CYP3A4MEN1
SCHEMBL29888274 0.79 TDP1 (0.50) TSHRTDP1ALDH1A1CYP3A4POLB
SCHEMBL574038 0.79 TDP1 (0.50) TSHRTDP1ALDH1A1CYP3A4POLB
SCHEMBL3634865 0.79 TSHR (0.55) TSHRTDP1ALDH1A1CYP3A4MEN1

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
EP-4563580-A1 FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2025-06-04 EP disclosed
CN-119365465-A Condensed ring compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-01-24 CN disclosed
WO-2024104453-A1 FUSED TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 江苏恒瑞医药股份有限公司 2024-05-23 WO disclosed
WO-2024022444-A1 FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF 江苏恒瑞医药股份有限公司 2024-02-01 WO disclosed