SCHEMBL9622903

SCHEMBL9622903

COc1ccc2[nH]c3c(C)cc4c(c3c2c1)C(=O)N(CCN(CCO)CCO)C4=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.45
ROCK2 O75116 4/20 0.43
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 3/20 0.42
CHEK1 O14757 1/20 0.41
MAPT P10636 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
DYRK1A Q13627 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MYLK Q15746 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
STING1 Q86WV6 1/20 0.39
RAB9A P51151 2/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL29386554 0.89 PDGFRB (0.48) PDGFRBROCK2KDM4ECHEK1MAPT
SCHEMBL9623031 0.86 PDGFRB (0.50) PDGFRBROCK2KDM4ECHEK1MAPT
SCHEMBL9622522 0.86 PDGFRB (0.46) PDGFRBROCK2KDM4EHSD17B10CHEK1
Hydrochloric Acid SCHEMBL9623250 0.85 PDGFRB (0.45) PDGFRBROCK2KDM4EHSD17B10CHEK1
Hydrochloric Acid SCHEMBL9623220 0.84 PDGFRB (0.49) PDGFRBROCK2KDM4ECHEK1MAPT
SCHEMBL9623087 0.81 MTNR1A (0.49) PDGFRBROCK2KDM4EHSD17B10KMT2A
SCHEMBL9622486 0.81 PDGFRB (0.47) PDGFRBROCK2KDM4EHSD17B10MAPT
SCHEMBL9622459 0.81 PDGFRB (0.47) PDGFRBROCK2KDM4ECHEK1MAPT
SCHEMBL9622629 0.80 PDGFRB (0.46) PDGFRBROCK2KDM4EHSD17B10MAPT
SCHEMBL9622827 0.79 KIT (0.44) ROCK2CHEK1KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166204-A ISOINDOLE DERIVATIVES AND SALTS THEREOF AND ANTITUMOR AGENT COMPRISING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 1992-11-24 US disclosed