SCHEMBL30403682

SCHEMBL30403682

O=C(Cc1cc(NC(=O)Cc2ccc(F)cc2Cl)cnn1)Nc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.48
▸ RECQL P46063 1/20 0.46
▸ GAA P10253 2/20 0.44
▸ P2RX7 Q99572 6/20 0.43
▸ AR P10275 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ P2RX4 Q99571 1/20 0.41
▸ KCNJ5 P48544 1/20 0.41
▸ KCNJ3 P48549 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ GALR3 O60755 1/20 0.40
▸ NR2F2 P24468 1/20 0.40

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
SCHEMBL29029217 1.00 ROCK2 (0.48) ROCK2RECQLGAAP2RX7AR
SCHEMBL29029246 0.90 SMN1; SMN2 (0.49) ROCK2RECQLP2RX7ALDH1A1POLB
SCHEMBL30403470 0.90 SMN1; SMN2 (0.49) ROCK2RECQLP2RX7ALDH1A1POLB
SCHEMBL26186442 0.86 ROCK2 (0.49) ROCK2RECQLP2RX7ALDH1A1POLB
SCHEMBL30285583 0.86 ROCK2 (0.49) ROCK2RECQLP2RX7ALDH1A1POLB
SCHEMBL30285728 0.85 ROCK2 (0.48) ROCK2RECQLGAAP2RX7ALDH1A1
SCHEMBL26186448 0.85 ROCK2 (0.48) ROCK2RECQLGAAP2RX7ALDH1A1
SCHEMBL30285857 0.81 SMN1; SMN2 (0.60) ALDH1A1POLBMAPTKMT2ASMN1; SMN2
SCHEMBL29005545 0.81 SMN1; SMN2 (0.60) ALDH1A1POLBMAPTKMT2ASMN1; SMN2
SCHEMBL30285850 0.80 KCNJ5 (0.57) ROCK2ALDH1A1POLBP2RX4KCNJ5

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
CN-115989218-A Use of N-phenylacetamides having P2X4 receptor antagonistic activity for the treatment of certain eye diseases 拜耳公司 2023-04-18 — — CN disclosed
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