SCHEMBL21663705

SCHEMBL21663705

O=C(CI)Nc1ccc(F)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
HPGD P15428 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 3/20 0.44
ENPP1 P22413 3/20 0.43
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
FABP4 P15090 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HSD17B14 Q9BPX1 1/20 0.42
HDAC3 O15379 1/20 0.42
EGFR P00533 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 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
SCHEMBL30675618 0.83 TSHR (0.51) TSHRHPGDKDM4EALDH1A1ENPP1
SCHEMBL20679612 0.83 TSHR (0.51) TSHRHPGDKDM4EALDH1A1ENPP1
SCHEMBL11802375 0.80 PKM (0.59) TSHRKDM4EALDH1A1KMT2AMEN1
SCHEMBL30675577 0.80 PKM (0.59) TSHRKDM4EALDH1A1KMT2AMEN1
SCHEMBL26799 0.78 KMT2A (0.58) TSHRKDM4EALDH1A1ERCC1ERCC4
SCHEMBL21765862 0.77 MEN1 (0.54) ALDH1A1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL18117790 0.77 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1HSD17B14EGFR
SCHEMBL8857426 0.76 POLB (0.48) KDM4EALDH1A1ERCC1ERCC4KMT2A
SCHEMBL8857854 0.75 KDM4C (0.66) TSHRHPGDKDM4EALDH1A1KMT2A
SCHEMBL10865344 0.74 CYP1A1 (0.60) TSHRHPGDKDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020028724-A1 SUBSTITUTED-3H-IMIDAZO[4,5-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE SERIES OF NOVEL ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE-1 (ENPP1) AND STIMULATOR FOR INTERFERON GENES (STING) MODULATORS AS CANCER IMMUNOTHERAPEUTICS Stingray Therapeutics, Inc. (US) 2020-02-06 WO disclosed