SCHEMBL9532029

SCHEMBL9532029

ON=C(c1ccccn1)c1ccccc1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
TSHR P16473 2/20 0.39
LMNA P02545 3/20 0.39
NAPRT Q6XQN6 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PAX8 Q06710 1/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
NPC1 O15118 2/20 0.38
AGTR1 P30556 2/20 0.38
RAB9A P51151 2/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
HSP90AA1 P07900 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9530012 0.89 KDM4E (0.42) KDM4ETSHRLMNAL3MBTL1NPC1
SCHEMBL9532053 0.89 NPC1 (0.43) KDM4ETSHRLMNAL3MBTL1PAX8
SCHEMBL9529562 0.85 KDM4E (0.42) KDM4ELMNANAPRTP4HTML3MBTL1
SCHEMBL23366565 0.82 KDM4E (0.49) KDM4ELMNANAPRTP4HTML3MBTL1
SCHEMBL9529276 0.81 ALDH1A1 (0.46) KDM4ELMNANPC1AGTR1RAB9A
SCHEMBL9532748 0.80 POLB (0.46) KDM4ETSHRLMNANPC1RAB9A
SCHEMBL9527768 0.80 CYP2C9 (0.40) KDM4ETSHRLMNACTNNB1NPC1
SCHEMBL9529150 0.78 CYP4F2 (0.41) KDM4ELMNANAPRTP4HTML3MBTL1
SCHEMBL10407004 0.78 TSHR (0.43) TSHRRAB9ASMN1; SMN2CYP2D6CYP2C19
SCHEMBL9528883 0.77 NPC1 (0.43) KDM4ETSHRLMNANAPRTP4HTM

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
JP-2115166-A None JP disclosed
EP-0560898-A4 PHOTOCHROMIC NAPHTHOPYRANS 1993-11-18 EP disclosed
EP-0560898-A1 PHOTOCHROMIC NAPHTHOPYRANS. PPG INDUSTRIES INC (US) 1993-09-22 EP disclosed
JP-H02115166-A PYRIDYLKETOXIME ETHER DERIVATIVE AND MEDICINE COMPOSITION CONTAINING THE SAME KAKEN PHARMACEUT CO LTD 1990-04-27 JP disclosed