SCHEMBL9831490

SCHEMBL9831490

CCOC(=O)C1(C)C(=O)Nc2cc3c(cc21)NC(c1ccncc1)N3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 3/20 0.36
BRD4 O60885 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADCY8 P40145 1/20 0.33
POLB P06746 3/20 0.33
FGB P02675 1/20 0.33
MAPT P10636 3/20 0.33
CASP1 P29466 1/20 0.33

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
Hydrochloric Acid SCHEMBL10470525 0.99 KDM4E (0.36) KDM4EGAAALDH1A1HSD17B10TSHR
SCHEMBL9835044 0.89 SMN1; SMN2 (0.41) KDM4EGAAALDH1A1TSHRBRD4
SCHEMBL9832551 0.89 KDM4E (0.39) KDM4EGAAALDH1A1HSD17B10TSHR
SCHEMBL9833624 0.88 KDM4E (0.46) KDM4EGAAALDH1A1HSD17B10TSHR
SCHEMBL9832581 0.86 ADCY8 (0.39) KDM4EGAAALDH1A1HSD17B10TSHR
SCHEMBL10569263 0.85 BRD4 (0.32) KDM4EALDH1A1HSD17B10TSHRBRD4
SCHEMBL10372817 0.85 KMT2A (0.42) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL9832272 0.84 ALDH1A1 (0.41) KDM4EGAAALDH1A1HSD17B10TSHR
SCHEMBL10567457 0.84 ADORA2B (0.33) ALDH1A1TSHRSMN1; SMN2CYP1A2CYP2C19
SCHEMBL10569956 0.84 ALDH1A1 (0.33) ALDH1A1TSHRSMN1; SMN2CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161632-B1 PYRROLO-BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND INTERMEDIATES Roche Diagnostics GmbH (DE) 1991-04-10 EP claimed
EP-0161632-A2 Pyrrolo-benzimidazoles, process for their preparation, medicaments containing them and intermediates Roche Diagnostics GmbH (DE) 1985-11-21 EP claimed
EP-0161632-B1 PYRROLO-BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND INTERMEDIATES Roche Diagnostics GmbH (DE) 1991-04-10 EP disclosed
EP-0161632-A2 Pyrrolo-benzimidazoles, process for their preparation, medicaments containing them and intermediates Roche Diagnostics GmbH (DE) 1985-11-21 EP disclosed