SCHEMBL16433563

SCHEMBL16433563

O=C(O)c1cc(C(=O)O)cc(-[n+]2ccc(-c3cc[n+](-c4ccccc4)cc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.46
▸ KMO O15229 1/20 0.43
▸ DAO P14920 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NAPRT Q6XQN6 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ CTRC Q99895 1/20 0.38
▸ FABP1 P07148 1/20 0.37
▸ P2RY14 Q15391 1/20 0.37
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ SRD5A2 P31213 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL12905320 0.85 TSHR (0.48) KMODAOTSHRNAPRTEGFR
SCHEMBL12267697 0.83 TPMT (0.52) DHODHL3MBTL1FABP1P2RY14SRD5A2
SCHEMBL126404 0.81 TSHR (0.56) DAOTSHRNAPRTPKMCES2
SCHEMBL15304782 0.79 TSHR (0.52) DAOTSHRNAPRTCES2CES1
SCHEMBL1108049 0.78 SLC22A2 (0.48) ATMTDP1
SCHEMBL12239728 0.78 RAB9A (0.50) L3MBTL1ATMTDP1SRD5A2MEN1
Iodide SCHEMBL5145509 0.76 SLC22A2 (0.46) TDP1
SCHEMBL14596523 0.76 SLC22A2 (0.46) TDP1
Hydrochloric Acid SCHEMBL598047 0.76 SLC22A2 (0.46) TDP1
Bromide SCHEMBL4084634 0.76 SLC22A2 (0.46) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8947756-B2 Electrochromic material and electrochromic device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-02-03 — — US disclosed
Send feedback