SCHEMBL21240899

SCHEMBL21240899

O=C(OCc1ccccc1)c1ccc2ncsc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.64
▸ ALDH1A1 P00352 5/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ TDP1 Q9NUW8 6/20 0.64
▸ L3MBTL1 Q9Y468 4/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ HKDC1 Q2TB90 1/20 0.58
▸ USP2 O75604 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ PKM P14618 1/20 0.57
▸ NTRK1 P04629 4/20 0.56
▸ NTRK2 Q16620 4/20 0.56
▸ LMNA P02545 3/20 0.55
▸ GAA P10253 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ SLC6A2 P23975 1/20 0.53

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
SCHEMBL2665689 0.81 TDP1 (0.63) KDM4EALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL21186386 0.77 CYP2D6 (0.63) ALDH1A1SMN1; SMN2TDP1NPC1RAB9A
SCHEMBL20311508 0.77 ALDH1A1 (0.63) KDM4EALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL1680928 0.77 SMN1; SMN2 (0.61) KDM4EALDH1A1SMN1; SMN2TDP1NPC1
SCHEMBL1838892 0.77 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL7456577 0.76 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL18062419 0.76 NPC1 (0.66) KDM4EALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL28327199 0.76 NPC1 (0.66) KDM4EALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL507242 0.76 RAB9A (0.66) KDM4EALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL1192767 0.75 TDP1 (0.58) KDM4EALDH1A1SMN1; SMN2TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968316-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2019-08-07 — — EP disclosed
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