SCHEMBL11029217

SCHEMBL11029217

COc1cc(N)c(OC)c(N)c1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.43
PKM P14618 1/20 0.41
PRKDC P78527 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.37
TUBB4A P04350 3/20 0.37
TUBB P07437 3/20 0.37
TUBA3C P0DPH7 3/20 0.37
TUBA1B P68363 3/20 0.37
TUBA4A P68366 3/20 0.37
TUBB4B P68371 3/20 0.37
TUBB3 Q13509 3/20 0.37
TUBB2A Q13885 3/20 0.37
TUBB8 Q3ZCM7 3/20 0.37
TUBA3E Q6PEY2 3/20 0.37
TUBA1A Q71U36 3/20 0.37

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
SCHEMBL2910464 0.79 KDM4E (0.42) ERN1PKMPRKDCKDM4EALDH1A1
SCHEMBL9522146 0.76 ACHE (0.46) KDM4EALDH1A1TSHRTDP1POLB
SCHEMBL30665721 0.76 NPC1 (0.45) PKMKDM4EALDH1A1TSHRTDP1
SCHEMBL13711879 0.74 ERN1 (0.50) ERN1PKMPRKDCKDM4EALDH1A1
SCHEMBL25648683 0.73 ERN1 (0.39) ERN1PKMPRKDCKDM4EALDH1A1
SCHEMBL18979888 0.72 ERN1 (0.47) ERN1PRKDCKDM4EALDH1A1TSHR
SCHEMBL5313876 0.72 ERN1 (0.48) ERN1PRKDCKDM4EALDH1A1TSHR
SCHEMBL10378794 0.72 CYP19A1 (0.44) ERN1ALDH1A1TSHRTDP1POLB
SCHEMBL13243654 0.71 IDO1 (0.50) ERN1PKMALDH1A1TSHRTDP1
SCHEMBL27030621 0.70 ERN1 (0.50) ERN1PKMPRKDCKDM4EALDH1A1

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
EP-0159291-A1 Ink composition for the ink-jet printing process CIBA-GEIGY AG (CH) 1985-10-23 EP disclosed