SCHEMBL10754927

SCHEMBL10754927

Cc1cccc(C(=O)c2c(C)nn(C)c2O)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ENPP3 O14638 2/20 0.46
▸ ALPL P05186 2/20 0.46
▸ XIAP P98170 2/20 0.46
▸ ELANE P08246 2/20 0.46
▸ POLB P06746 1/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ PARP1 P09874 1/20 0.45
▸ CNR2 P34972 2/20 0.43
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SPR P35270 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
SCHEMBL10754583 0.85 ALDH1A1 (0.46) POLBNPC1RAB9APARP1SMN1; SMN2
SCHEMBL10755186 0.84 MAPT (0.49) POLBNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL10754799 0.84 TPMT (0.39) POLBHPGDKMT2AHTTSPR
SCHEMBL10765363 0.82 ALDH1A1 (0.50) CNR2KMT2AALDH1A1NPSR1
SCHEMBL10755526 0.81 MAPT (0.46) ELANENPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10754320 0.81 MEN1 (0.52) SMN1; SMN2KMT2AALDH1A1NPSR1TP53
SCHEMBL10751196 0.81 ALDH1A1 (0.50) ENPP3ALPLXIAPPOLBNPC1
SCHEMBL10751425 0.78 SRD5A2 (0.45) ELANENPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10753321 0.78 F2 (0.42) ELANEPOLBNPC1RAB9AHPGD
SCHEMBL10752053 0.77 KDM4E (0.40) RAB9ASMN1; SMN2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4687858-A HERBICIDES SANKYO COMPANY LIMITED (JP) 1987-08-18 — — US disclosed
US-4508910-A Herbicidal 4-benzoyl-5-hydroxy-pyrazales SANKYO COMPANY LTD. (JP) 1985-04-02 — — US disclosed
US-4414392-A Herbicidal compositions and pyrazole derivatives SANKYO COMPANY, LTD. (JP) 1983-11-08 — — US disclosed
US-4301293-A Herbicidal compositions and pyrazole derivatives SANKYO COMPANY LTD. (JP) 1981-11-17 — — US disclosed
US-4261729-A Herbicidal compositions and pyrazole derivatives SANKYO COMPANY LIMITED (JP) 1981-04-14 — — US disclosed
US-4146726-A HERBICIDES SANKYO COMPANY LIMITED (JP) 1979-03-27 — — US disclosed
US-4063925-A Herbicidal compositions SANKYO COMPANY LIMITED (JA) 1977-12-20 — — US disclosed
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