SCHEMBL30403470

SCHEMBL30403470

O=C(Cc1cc(NC(=O)Cc2ccc(F)cc2Cl)cnn1)Nc1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ROCK2 O75116 1/20 0.46
▸ KCNJ5 P48544 3/20 0.46
▸ KCNJ3 P48549 3/20 0.46
▸ ACKR3 P25106 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ ANO1 Q5XXA6 2/20 0.42
▸ KCNJ6 P48051 1/20 0.42
▸ RECQL P46063 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ P2RX7 Q99572 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
SCHEMBL29029246 1.00 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2AROCK2KCNJ5
SCHEMBL29029217 0.90 ROCK2 (0.48) SMN1; SMN2MEN1KMT2AROCK2KCNJ5
SCHEMBL30403682 0.90 ROCK2 (0.48) SMN1; SMN2MEN1KMT2AROCK2KCNJ5
SCHEMBL26186457 0.86 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AROCK2KCNJ5
SCHEMBL30285736 0.86 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AROCK2KCNJ5
SCHEMBL30285809 0.84 KMT2A (0.58) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL29005502 0.84 KMT2A (0.58) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL30285583 0.83 ROCK2 (0.49) ROCK2ACKR3ALDH1A1ANO1RECQL
SCHEMBL26186442 0.83 ROCK2 (0.49) ROCK2ACKR3ALDH1A1ANO1RECQL
SCHEMBL30285756 0.81 ROCK2 (0.44) SMN1; SMN2MEN1KMT2AROCK2KCNJ5

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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