SCHEMBL8458677

SCHEMBL8458677

O=C1COCc2[nH]c3ccccc3c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
F2 P00734 1/20 0.41
CFD P00746 1/20 0.41
PARP1 P09874 2/20 0.40
GPR3 P46089 2/20 0.40
CYP1A2 P05177 2/20 0.40
TNKS2 Q9H2K2 2/20 0.40
TNKS O95271 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL23537498 0.83 PARP1 (0.45) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL29824598 0.83 PARP1 (0.45) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL22122397 0.78 METAP2 (0.40) HSD17B10MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL31027151 0.77 DYRK1A (0.58) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL2220752 0.77 DYRK1A (0.58) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL30451928 0.77 KDM4E (0.50) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL4287798 0.77 KDM4E (0.50) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL5830601 0.74 HTT (0.50) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL7441456 0.74 KDM4E (0.60) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL14895777 0.70 ALDH1A1 (0.53) HSD17B10MEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3897644-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2021-10-27 EP disclosed
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 WO disclosed
EP-0923552-A1 PYRANOINDOLE AND CARBAZOLE INHIBITORS OF COX-2 AMERICAN HOME PRODUCTS CORPORATION (US) 1999-06-23 EP disclosed
US-5824699-A COMPOUNDS FOR TREATMENT OF ARTHRITIS, COLORECTAL CANCER AND ALZHEIMER'S DISEASE AMERICAN HOME PRODUCTS CORPORATION (US) 1998-10-20 US disclosed
US-5776967-A ANTIINFLAMMATORY AGENTS; THERAPY FOR ARTHRITIC DISORDERS, COLORECTAL CANCER AND ALZHEIMER'S DISEASE AMERICAN HOME PRODUCTS CORPORATION (US) 1998-07-07 US disclosed
WO-1998004527-A1 PYRANOINDOLE AND CARBAZOLE INHIBITORS OF COX-2 AMERICAN HOME PRODUCTS CORPORATION (US) 1998-02-05 WO disclosed