SCHEMBL9430458

SCHEMBL9430458

CCOC(=O)CN(N)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CTDSP1 Q9GZU7 1/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 2/20 0.43
LTA4H P09960 1/20 0.42
PPID Q08752 1/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL1120544 0.86 RAB9A (0.44) SMN1; SMN2MEN1KMT2ACTDSP1GAA
SCHEMBL1120517 0.84 ALDH1A1 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL1120585 0.83 MAPT (0.43) SMN1; SMN2MEN1KMT2AGAATSHR
SCHEMBL8624227 0.82 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2ACTDSP1GAA
SCHEMBL4458579 0.82 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2ACTDSP1GAA
SCHEMBL27811356 0.82 CYP4F2 (0.41) SMN1; SMN2MEN1KMT2ACTDSP1LTA4H
SCHEMBL1120579 0.82 NOTUM (0.45) SMN1; SMN2MEN1KMT2ATSHRALDH1A1
SCHEMBL1120687 0.82 MAPT (0.48) SMN1; SMN2MEN1KMT2AGAAALDH1A1
Phenylhydrazine SCHEMBL28002499 0.81 ALDH1A1 (0.40) SMN1; SMN2MEN1KMT2ACTDSP1GAA
SCHEMBL3662111 0.81 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2ACTDSP1GAA

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
US-5374647-A Anticoagulants, thromboxane synthase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1994-12-20 US disclosed
US-5096897-A Antiallergens, antiischemic agents, treatment of asthma BAYER AKTIENGESELLSCHAFT (DE) 1992-03-17 US disclosed
US-5039670-A Anticoagulants, antiasthma, antiallergens BAYER AKTIENGESELLSCHAFT (DE) 1991-08-13 US disclosed
CN-1051354-A Replace cycloalkanes also [b] indoline-and-indol-7 sulfonamide BAYER AG (DE) 1991-05-15 CN disclosed