SCHEMBL19986010

SCHEMBL19986010

c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7sc6c54)nc4cccnc34)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.41
EGFR P00533 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
LIMK1 P53667 1/20 0.30

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
SCHEMBL19985982 0.98 TOP1 (0.42) TOP1EGFRKDM4EALDH1A1LMNA
SCHEMBL19986024 0.95 TOP1 (0.37) TOP1
SCHEMBL19988464 0.90 TOP1 (0.43) TOP1EGFRKDM4EALDH1A1LMNA
SCHEMBL19986005 0.90 EGFR (0.40) EGFRKDM4EALDH1A1LMNAHPGD
SCHEMBL19986028 0.88 EGFR (0.42) EGFRKDM4EALDH1A1LMNAHPGD
SCHEMBL19985969 0.87 DHODH (0.33)
SCHEMBL19986045 0.85 KMT2A (0.31)
SCHEMBL16206310 0.85 EGFR (0.41) EGFRKDM4EALDH1A1LMNAHPGD
SCHEMBL19986050 0.84 EGFR (0.37) EGFRKDM4EALDH1A1LMNAHPGD
SCHEMBL19998000 0.84 TOP1 (0.46) TOP1EGFRKDM4EALDH1A1LMNA

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
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed