SCHEMBL11654445

SCHEMBL11654445

Cc1cc(N=CN(C)C(=O)Cl)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ MCL1 Q07820 1/20 0.38
▸ ALDH1A1 P00352 7/20 0.37
▸ MEN1 O00255 3/20 0.34
▸ PKM P14618 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ MAPT P10636 2/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ TAS1R2 Q8TE23 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GPBAR1 Q8TDU6 1/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30

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
SCHEMBL11658396 0.88 KMT2A (0.49) KMT2AALDH1A1MEN1KDM4ERAB9A
SCHEMBL11658191 0.88 KMT2A (0.65) KMT2AMEN1TDP1MAPTMAOB
Hydrochloric Acid SCHEMBL11661831 0.86 KMT2A (0.63) KMT2AMEN1TDP1MAPTMAOB
SCHEMBL11655222 0.80 HTR3E (0.48) KMT2AMEN1MAPT
SCHEMBL11655212 0.79 SMN1; SMN2 (0.41) KMT2AALDH1A1MEN1PKMKDM4E
SCHEMBL11655156 0.79 ALDH1A1 (0.45) KMT2AALDH1A1MEN1PKMKDM4E
SCHEMBL11658283 0.78 KMT2A (0.49) KMT2AALDH1A1MEN1PKMRAB9A
SCHEMBL11653881 0.78 KMT2A (0.45) KMT2AALDH1A1MEN1MAPT
SCHEMBL11658757 0.78 KMT2A (0.42) KMT2AALDH1A1KDM4EL3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL11655456 0.78 SMN1; SMN2 (0.41) KMT2AALDH1A1MEN1PKMKDM4E

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-4073636-A Azolylamidine compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DT) 1978-02-14 — — US disclosed
US-3993469-A Azolylamidine compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DT) 1976-11-23 — — US disclosed
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