SCHEMBL30800293

SCHEMBL30800293

Cc1c([N+](=O)[O-])cccc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.64
ALDH1A1 P00352 2/20 0.59
TSHR P16473 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HSD17B10 Q99714 1/20 0.47
GPR35 Q9HC97 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 2/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 1/20 0.44
PARP1 P09874 1/20 0.43
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
GLA P06280 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
SCHEMBL2431059 1.00 TDP1 (0.64) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL3272898 0.83 ALDH1A1 (0.49) TDP1ALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL15034656 0.83 TDP1 (0.67) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL27873825 0.81 TDP1 (0.64) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL17845330 0.81 ALDH1A1 (0.49) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL31122003 0.81 ALDH1A1 (0.49) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL30627320 0.80 ALDH1A1 (0.50) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL1999849 0.80 ALDH1A1 (0.50) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL472112 0.80 TDP1 (1.00) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL1459395 0.79 TSHR (0.53) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10

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-122055363-A Compounds and methods for modulating splicing 雷密克斯医疗公司 2026-05-15 CN disclosed
EP-4558504-A1 CBL-B INHIBITORS AND METHODS OF USES THEREOF Insilico Medicine IP Limited (HK) 2025-05-28 EP disclosed
CN-119630662-A CBL-B inhibitors and methods of use thereof 英矽智能科技知识产权有限公司 2025-03-14 CN disclosed
WO-2024131939-A1 CBL-B INHIBITORS AND METHODS OF USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-06-27 WO disclosed
WO-2024017201-A1 CBL-B INHIBITORS AND METHODS OF USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-01-25 WO disclosed