SCHEMBL11507439

SCHEMBL11507439

Cc1cc(OC(=O)c2cccs2)n(C(C)c2ccc(F)c(F)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ PLA2G1B P04054 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.41
▸ MAPT P10636 7/20 0.39
▸ SAE1 Q9UBE0 1/20 0.39
▸ UBA2 Q9UBT2 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ TSHR P16473 1/20 0.38
▸ CTSB P07858 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 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
SCHEMBL11452700 0.80 KMT2A (0.47) KMT2ARXFP1PLA2G1BTDP1ATG4B
SCHEMBL11512100 0.80 KMT2A (0.44) KMT2AMAPTMEN1TSHRALDH1A1
SCHEMBL11509261 0.78 PDPK1 (0.36) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL11511066 0.78 PDPK1 (0.36) KMT2AMEN1ALDH1A1
SCHEMBL11731962 0.77 PDPK1 (0.35) —
SCHEMBL11509278 0.76 GPR139 (0.36) KMT2AMAPTNPSR1
SCHEMBL11510040 0.73 OGA (0.34) ALDH1A1HTTLMNA
SCHEMBL11509157 0.72 LMNA (0.40) KMT2AMAPTALDH1A1NPSR1LMNA
SCHEMBL11509314 0.69 KCNK3 (0.40) MAPTALDH1A1HSD17B10HTT
SCHEMBL11511756 0.69 GPR139 (0.38) MAPTHTT

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
US-4160098-A DIURETICS, SALURETICS, HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1979-07-03 — — US disclosed
US-4122281-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4122279-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4122280-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4096152-A DIURETICS, SALURETICS, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1978-06-20 — — US disclosed
US-4069334-A DIURETICS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1978-01-17 — — US disclosed
Send feedback