SCHEMBL11101596

SCHEMBL11101596

Cc1c(C(=O)CC(C(=O)O)c2c(C)n(C)c3ccccc23)c2ccccc2n1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ ALDH1A1 P00352 6/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ OXER1 Q8TDS5 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ HK1 P19367 1/20 0.41
▸ HKDC1 Q2TB90 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ APAF1 O14727 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
SCHEMBL11111567 0.83 CNR2 (0.54) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL11101488 0.82 CNR2 (0.47) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL11112882 0.81 CNR2 (0.60) CNR2
SCHEMBL11109604 0.80 CNR2 (0.36) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL28836465 0.76 KDM4E (0.53) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL14397448 0.75 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL30443220 0.74 EGFR (0.65) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL984736 0.74 EGFR (0.65) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL8702816 0.71 KMT2A (0.62) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL7278316 0.71 EGFR (0.65) KMT2AMEN1ALDH1A1KDM4EMAPT

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
US-4477676-A 4-(3-Indolyl)-2,3-dichloro-4-oxo-2-butenoic acids THE HILTON-DAVIS CHEMICAL CO. (US) 1984-10-16 — — US disclosed
US-4451657-A 3,5- And 5,5-bis(3-indolyl)-2-(5H)furanones THE HILTON-DAVIS CHEMICAL CO. (US) 1984-05-29 — — US disclosed
US-4377698-A 2,4 Bis(2-indolyl-3)-4-oxobutanoic acids STERLING DRUG INC. (US) 1983-03-22 — — US disclosed
US-4275121-A Carbonless duplicating and marking systems utilizing indolyl-substituted furanone color formers STERLING DRUG INC. (US) 1981-06-23 — — US disclosed
US-4075224-A 3,5-Bis (indolyl)-5-(indolyl)-2(5H)-furanones STERLING DRUG INC. (US) 1978-02-21 — — US disclosed
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