SCHEMBL20031207

SCHEMBL20031207

CNc1cc(-c2ccc(Cl)cc2)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
NOTUM Q6P988 2/20 0.53
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 5/20 0.49
HTT P42858 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
SMN1; SMN2 Q16637 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
JAK2 O60674 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CXCR1 P25024 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL30020309 0.83 NOTUM (0.51) RAB9ANPC1NOTUMPOLBLMNA
SCHEMBL28440906 0.81 MAPT (0.52) RAB9ANPC1LMNAMAPTSMN1; SMN2
SCHEMBL9199765 0.81 RAB9A (0.57) RAB9ANPC1NOTUMLMNAMAPT
SCHEMBL20031383 0.81 NOTUM (0.56) RAB9ANPC1NOTUMMAPTSMN1; SMN2
SCHEMBL22504981 0.79 KMT2A (0.59) RAB9ANPC1POLBLMNAMAPT
SCHEMBL4684431 0.79 MAPT (0.57) RAB9ANPC1LMNAMAPTCYP1A2
SCHEMBL2609422 0.78 RAB9A (0.53) RAB9ANPC1NOTUMPOLBLMNA
SCHEMBL2301990 0.77 RAB9A (0.57) RAB9ANPC1NOTUMPOLBLMNA
SCHEMBL9213944 0.76 RAB9A (0.59) RAB9ANPC1NOTUMPOLBLMNA
SCHEMBL14452037 0.76 POLB (0.68) RAB9ANPC1NOTUMPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3519385-B1 CYANOPYRROLIDINE DERIVATIVES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2020-11-18 EP disclosed
WO-2018060689-A1 CYANOPYRROLIDINE DERIVATIVES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2018-04-05 WO disclosed
CN-101817799-B Cyanoacrylate compound and application thereof in pesticide and medicine UNIV NANKAI 2013-08-21 CN disclosed
CN-101817799-A Cyanoacrylate compound and application thereof in pesticide and medicine UNIV NANKAI 2010-09-01 CN disclosed