SCHEMBL11405776

SCHEMBL11405776

O=C(O)c1ccccc1/N=C/c1cccc(Cl)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.53
▸ PTGS2 P35354 1/20 0.50
▸ ALDH1A1 P00352 7/20 0.49
▸ LMNA P02545 5/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ PBRM1 Q86U86 1/20 0.48
▸ AKR1C3 P42330 1/20 0.48
▸ AKR1C2 P52895 1/20 0.48
▸ AKR1C1 Q04828 1/20 0.48
▸ HPGD P15428 4/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TLR2 O60603 1/20 0.45
▸ TLR1 Q15399 1/20 0.45
▸ TLR6 Q9Y2C9 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ PPP1R15A O75807 1/20 0.44

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
SCHEMBL11405780 1.00 TSHR (0.53) TSHRPTGS2ALDH1A1LMNAKMT2A
SCHEMBL11404055 0.89 PTGS2 (0.53) TSHRPTGS2ALDH1A1LMNAPBRM1
SCHEMBL11411252 0.88 TSHR (0.53) TSHRPTGS2ALDH1A1LMNAKMT2A
SCHEMBL11423281 0.88 TSHR (0.53) TSHRPTGS2ALDH1A1LMNAKMT2A
SCHEMBL10090725 0.87 AKR1C3 (0.64) ALDH1A1LMNAKMT2APBRM1AKR1C3
SCHEMBL11402270 0.83 ALDH1A1 (0.52) TSHRPTGS2ALDH1A1LMNAPBRM1
SCHEMBL11424615 0.81 ALDH1A1 (0.46) TSHRPTGS2ALDH1A1LMNAKMT2A
SCHEMBL11424611 0.81 ALDH1A1 (0.46) TSHRPTGS2ALDH1A1LMNAKMT2A
SCHEMBL11404085 0.81 L3MBTL1 (0.50) ALDH1A1LMNAKMT2AHPGDL3MBTL1
SCHEMBL11404083 0.81 L3MBTL1 (0.50) ALDH1A1LMNAKMT2AHPGDL3MBTL1

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
US-4230727-A N-BENZYLIDENEANILINE AND DERIVATIVES WILLIAM H. RORER, INC. (US) 1980-10-28 — — US disclosed
US-4187317-A Sunscreen and erythema treating with N-benzylidene anilenes WILLIAM H. RORER, INC. (US) 1980-02-05 — — US disclosed
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