SCHEMBL7301000

SCHEMBL7301000

CN=C(C)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CA4 P22748 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LTA4H P09960 2/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
CA5A P35218 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
USP2 O75604 1/20 0.35

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
SCHEMBL9386802 1.00 ELANE (0.41) ELANEMAPTALDH1A1CA4TDP1
SCHEMBL15891862 1.00 ELANE (0.41) ELANEMAPTALDH1A1CA4TDP1
SCHEMBL8973386 0.81 ELANE (0.41) ELANEMAPTALDH1A1CA4TDP1
SCHEMBL12201346 0.81 ELANE (0.41) ELANEMAPTALDH1A1CA4TDP1
SCHEMBL8483797 0.78 CA4 (0.42) ELANEMAPTALDH1A1CA4TDP1
SCHEMBL14667469 0.77 CA4 (0.42) ELANEMAPTALDH1A1CA4TDP1
SCHEMBL26413602 0.76 MAPT (0.41) ELANEMAPTALDH1A1CA4TDP1
SCHEMBL13922691 0.76 KMT2A (0.47) MAPTALDH1A1TDP1KDM4EGAA
SCHEMBL20026877 0.74 POLB (0.42) ELANEMAPTALDH1A1CA4TDP1
SCHEMBL12748454 0.74 POLB (0.42) ELANEMAPTALDH1A1CA4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309423-B1 New benzimidazoline-2-oxo-1-carboxylic acid derivatives useful as 5-ht receptor antagonists BOEHRINGER INGELHEIM ITALIA (IT) 1994-06-15 EP disclosed
US-5252570-A Amidino and guanidino derivatives B.I. ITALIA (IT) 1993-10-12 US disclosed
US-5047410-A Indolyl derivatives and their use as 5-HT3, receptor antagonists ISTITUTO DE ANGELI S.P.A. (IT) 1991-09-10 US disclosed
EP-0351385-A2 New amidino and guanidino derivatives BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1990-01-17 EP disclosed
EP-0309423-A2 New benzimidazoline-2-oxo-1-carboxylic acid derivatives useful as 5-ht receptor antagonists BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1989-03-29 EP disclosed