SCHEMBL7463771

SCHEMBL7463771

COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)C(CBr)CN3C(=O)c1cc2cc(NC(=O)c3cc4c(cn3)[nH]c3ccccc34)ccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 15/20 0.36
GABRG2 P18507 15/20 0.36
GABRB3 P28472 15/20 0.36
GABRA5 P31644 15/20 0.36
GABRA3 P34903 15/20 0.36
GABRA2 P47869 15/20 0.36
GABRA4 P48169 9/20 0.36
GABRA6 Q16445 9/20 0.36
GABRP O00591 6/20 0.36
GABRD O14764 6/20 0.36
GABRB1 P18505 6/20 0.36
GABRB2 P47870 6/20 0.36
GABRE P78334 6/20 0.36
GABRG1 Q8N1C3 6/20 0.36
GABRG3 Q99928 6/20 0.36
GABRQ Q9UN88 6/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36

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
SCHEMBL7460674 0.95 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7463782 0.91 ABL1 (0.32) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL7466678 0.89 GABRA1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7468129 0.88 NPC1 (0.37) KDM4EALDH1A1LMNAMAPTNPC1
SCHEMBL7476015 0.88 P4HB (0.34) MEN1KMT2ARAB9A
SCHEMBL7472313 0.86 BRAF (0.36) KDM4EALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL7459606 0.86 ABL1 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7468808 0.85 ABCB1 (0.35) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL7468222 0.83 NPC1 (0.37) KDM4EALDH1A1LMNAMAPTNPC1
SCHEMBL7466456 0.83 KMT2A (0.36) KDM4EALDH1A1LMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0656360-B1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2002-11-20 EP disclosed
US-5629430-A ANTICARCINOGENIC AGENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1997-05-13 US disclosed
EP-0656360-A1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP disclosed