SCHEMBL6028962

SCHEMBL6028962

Cc1c(O)cc2c(c1C)NCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY5 O95622 2/20 0.43
ADCY6 O43306 1/20 0.43
ADCY3 O60266 1/20 0.43
ADCY9 O60503 1/20 0.43
ADCY8 P40145 1/20 0.43
ADCY7 P51828 1/20 0.43
ADCY2 Q08462 1/20 0.43
ADCY1 Q08828 1/20 0.43
ADCY4 Q8NFM4 1/20 0.43
ACHE P22303 2/20 0.40
DRD2 P14416 3/20 0.38
HSD17B10 Q99714 3/20 0.38
DRD4 P21917 2/20 0.38
MAOA P21397 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
DRD3 P35462 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM1A O60341 1/20 0.36

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
SCHEMBL14283939 0.89 KDM4E (0.39) ADCY5ADCY6ADCY3ADCY9ADCY8
SCHEMBL4624962 0.76 DRD2 (0.37) ADCY5ADCY6ADCY3ADCY9ADCY8
SCHEMBL6029676 0.73 HTR2A (0.43) MAOATSHRALDH1A1MAPTHTR2A
SCHEMBL8651032 0.72 DRD2 (0.46) ADCY5ADCY6ADCY3ADCY9ADCY8
SCHEMBL6314154 0.71 KDM4E (0.36) ACHEHSD17B10KDM4ECYP2C9HIF1A
SCHEMBL4471273 0.69
SCHEMBL12525236 0.68 PARP10 (0.41) ADCY5ADCY6ADCY3ADCY9ADCY8
SCHEMBL8644945 0.68 DRD2 (0.50) ADCY5ADCY6ADCY3ADCY9ADCY8
SCHEMBL17433704 0.67 PARP10 (0.43) DRD2HSD17B10DRD4KDM4EALDH1A1
SCHEMBL7659924 0.67 PARP10 (0.39) DRD2HSD17B10DRD4KDM4EKDM1A

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
WO-2012163898-A1 DYE COMPOSITION USING A (HYDROXY)INDOLINE COUPLER IN A MEDIUM RICH IN FATTY SUBSTANCES, PROCESS AND DEVICES L'OREAL (FR) 2012-12-06 WO disclosed
US-7008940-B1 Dihydrobenzofuran derivatives, process for the preparing thereof and agents TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-07 US disclosed
EP-1213290-B1 DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS TAKEDA PHARMACEUTICAL (JP) 2005-04-20 EP disclosed
EP-1213290-A1 DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS Takeda Chemical Industries, Ltd. (JP) 2002-06-12 EP disclosed
US-5736534-A HYPERPROLIFERATIVE DISEASES; INHIBITORS OF PROTEIN-TYROSINE KINASES SUCH AS EPIDERMAL GROWTH FACTOR RECEPTOR; BRAIN, LUNG, BREAST CANCER; PSORIASIS AND BENIGN PROSTATE HYPERPLASIA PFIZER INC. (US) 1998-04-07 US disclosed
WO-1995023141-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1995-08-31 WO disclosed