SCHEMBL9548086

SCHEMBL9548086

COc1ccc(-c2nc(N3CCN(C)CC3)sc2-c2ccc(OC)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 1.00
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 5/20 0.60
CYP1A2 P05177 3/20 0.60
HSD17B10 Q99714 3/20 0.60
MEN1 O00255 3/20 0.60
PTGS2 P35354 2/20 0.60
HPGD P15428 2/20 0.60
CYP2C9 P11712 2/20 0.60
GLA P06280 1/20 0.60
CYP3A4 P08684 1/20 0.60
TSHR P16473 1/20 0.60
PTGS1 P23219 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CETP P11597 1/20 0.49
HRH4 Q9H3N8 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL3088398 0.85 KMT2A (0.74) KMT2AALDH1A1KDM4ECYP1A2HSD17B10
SCHEMBL9548136 0.85 KMT2A (0.74) KMT2AALDH1A1KDM4EPTGS2HPGD
SCHEMBL3102512 0.80 KMT2A (0.65) KMT2AALDH1A1KDM4ECYP1A2HSD17B10
SCHEMBL5813440 0.79 KMT2A (0.64) KMT2AALDH1A1KDM4ECYP1A2HSD17B10
SCHEMBL5812232 0.79 KMT2A (0.62) KMT2AALDH1A1KDM4ECYP1A2HSD17B10
SCHEMBL3100957 0.79 KMT2A (0.64) KMT2AALDH1A1KDM4ECYP1A2HSD17B10
SCHEMBL5812763 0.78 KMT2A (0.61) KMT2AALDH1A1KDM4ECYP1A2HSD17B10
SCHEMBL5815362 0.78 KMT2A (0.61) KMT2AALDH1A1KDM4ECYP1A2HSD17B10
SCHEMBL5818777 0.77 KMT2A (0.60) KMT2AALDH1A1KDM4ECYP1A2HSD17B10
Fr-122047 SCHEMBL9548128 0.76 PTGS2 (1.00) KMT2AALDH1A1KDM4ECYP1A2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5217971-A Anticoagulants, hypotensive agents, antiallergens and antiinflammatory agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-08 US disclosed
EP-0377457-A1 Thiazole compounds, processes for the preparation thereof, and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-07-11 EP disclosed