SCHEMBL10896379

SCHEMBL10896379

COc1ccc(C[C@H](N)C(=O)N(C(=O)OCc2ccccc2)[C@H]2[C@@H](O)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2C(=O)NCC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 3/20 0.54
▸ CARM1 Q86X55 2/20 0.49
▸ DOT1L Q8TEK3 4/20 0.49
▸ TRDMT1 O14717 1/20 0.49
▸ PRKACA P17612 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ HSP90B1 P14625 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ ANPEP P15144 1/20 0.46
▸ NPEPPS P55786 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ PAX8 Q06710 1/20 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
SCHEMBL10884643 0.92 AHCY (0.59) AHCYCARM1DOT1LTRDMT1ATM
SCHEMBL11060622 0.91 ADORA2A (0.45) SMN1; SMN2TP53CYP3A4ANPEPNPEPPS
SCHEMBL11052640 0.87 AHCY (0.60) AHCYDOT1LTRDMT1ATMHSP90B1
SCHEMBL10887916 0.87 AHCY (0.54) AHCYCARM1DOT1LTRDMT1ATM
SCHEMBL10887158 0.86 AHCY (0.65) AHCYDOT1LHSP90B1HIF1A
SCHEMBL10885247 0.86 AHCY (0.65) AHCYDOT1LHSP90B1HIF1A
SCHEMBL11059822 0.86 TRDMT1 (0.57) AHCYCARM1DOT1LTRDMT1ATM
SCHEMBL11054057 0.84 TRDMT1 (0.59) AHCYTRDMT1ATMHSP90B1SMN1; SMN2
SCHEMBL10883715 0.83 TRDMT1 (0.49) AHCYCARM1DOT1LTRDMT1PRKACA
SCHEMBL10885822 0.83 ADORA2A (0.46) AHCYSMN1; SMN2TP53CYP3A4ANPEP

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-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 — — EP disclosed
US-4479942-A Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 — — US disclosed
EP-0071926-A1 New ribofuranuronic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-16 — — EP disclosed
Send feedback