SCHEMBL9825480

SCHEMBL9825480

COc1ccccc1C(=O)N(CC(C)(C)C)NC(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ KCNK3 O14649 1/20 0.47
▸ KCNK9 Q9NPC2 1/20 0.47
▸ CTSD P07339 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ POLB P06746 1/20 0.45

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
SCHEMBL8179624 0.82 POLB (0.59) ALDH1A1POLB
SCHEMBL9826375 0.82 POLB (0.47) RAB9ANPC1KMT2AHPGDPOLB
SCHEMBL9714387 0.81 POLB (0.67) POLB
SCHEMBL9824979 0.78 CTSD (0.47) RAB9ANPC1CTSDKDM4EALDH1A1
SCHEMBL8383488 0.75 ABCB1 (0.71) RAB9ANPC1
SCHEMBL10718357 0.74 CYP3A4 (0.53) RAB9ANPC1KCNK3KCNK9KMT2A
SCHEMBL9714386 0.73 POLB (0.67) RAB9ANPC1POLB
SCHEMBL8388018 0.72 ABCB1 (0.56) RAB9ANPC1
SCHEMBL9714501 0.70 ABCB1 (0.60) CTSD
SCHEMBL10720007 0.70 ABCB1 (0.53) RAB9ANPC1LMNAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0236618-B1 INSECTICIDAL N'-SUBSTITUTED-N,N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-02-27 — — EP disclosed
US-4985461-A Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1991-01-15 — — US disclosed
EP-0236618-A2 Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-16 — — EP disclosed
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