SCHEMBL28879182

SCHEMBL28879182

COc1ccc(-c2ccccc2-c2ccco2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.61
ABCB1 P08183 2/20 0.61
BCR P11274 2/20 0.61
ADORA2A P29274 2/20 0.50
ADORA1 P30542 2/20 0.50
KDM4E B2RXH2 5/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.47
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 2/20 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
SCHEMBL3685934 0.83 TAAR1 (0.55) ADORA2AADORA1KDM4EMAPTMEN1
SCHEMBL12715050 0.81 ABL1 (0.79) ABL1ABCB1BCRMAPTLMNA
SCHEMBL28970805 0.80 ADORA2A (0.48) ABL1ABCB1BCRADORA2AADORA1
SCHEMBL28879160 0.80 KDM4E (0.49) ADORA2AADORA1KDM4EMAPTMEN1
SCHEMBL29755699 0.79 KDM4E (0.51) ADORA2AADORA1KDM4EMAPTMEN1
SCHEMBL7116127 0.79 KDM4E (0.51) ADORA2AADORA1KDM4EMAPTMEN1
SCHEMBL11096260 0.79 ABL1 (0.76) ABL1ABCB1BCRMAPTLMNA
SCHEMBL11819228 0.77 ABL1 (0.73) ABL1ABCB1BCRKDM4EMAPT
SCHEMBL29007097 0.77 MAPT (0.53) ADORA2AADORA1KDM4EMAPTMEN1
SCHEMBL29213005 0.76 PIN1 (0.45) ABL1ABCB1BCRADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112939903-B Method for preparing furan compounds from bromoaryl ketone 重庆医科大学 2023-05-26 CN disclosed
CN-110143935-B Preparation method of 2, 5-disubstituted furan derivative 华侨大学 2022-09-30 CN disclosed