SCHEMBL11778554

SCHEMBL11778554

c1ccc(Oc2nc(Oc3ccccc3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
ABCG2 Q9UNQ0 2/20 0.55
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2C19 P33261 3/20 0.53
HPGD P15428 2/20 0.53
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ATM Q13315 2/20 0.53
PAX8 Q06710 1/20 0.52
POLB P06746 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GLA P06280 1/20 0.49
LTA4H P09960 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ADORA3 P0DMS8 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
SCHEMBL8524606 0.87 ADORA2A (0.62) MAPK1TDP1ABCG2MEN1KMT2A
SCHEMBL11240553 0.87 KDM4E (0.53) MAPK1TDP1ABCG2MEN1KMT2A
SCHEMBL1006428 0.86 PAX8 (0.63) MAPK1MEN1KMT2AHPGDMAPT
SCHEMBL24124452 0.84 SMN1; SMN2 (0.54) MAPK1TDP1ABCG2MEN1KMT2A
SCHEMBL22724736 0.84 SMN1; SMN2 (0.54) MAPK1TDP1ABCG2MEN1KMT2A
SCHEMBL28711126 0.84 MAOA (0.55) MAPK1TDP1ABCG2MEN1KMT2A
SCHEMBL24262518 0.84 KMT2A (0.61) MAPK1MEN1KMT2AHPGDMAPT
SCHEMBL24262418 0.82 MEN1 (0.54) MAPK1TDP1MEN1KMT2AHPGD
SCHEMBL24124952 0.82 MEN1 (0.54) MAPK1TDP1MEN1KMT2AHPGD
SCHEMBL24262815 0.82 MEN1 (0.54) MAPK1TDP1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022211025-A1 MOLDED BODY FOR COMMUNICATION EQUIPMENT, AND POLYCYANURATE 三菱ケミカル株式会社 2022-10-06 WO disclosed
US-3966680-A Phenoxy-s-triazine chain coupler for polyesterification and novel polyesters MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1976-06-29 US disclosed