SCHEMBL11658396

SCHEMBL11658396

Cc1ccc(N=CN(C)C(=O)Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ HTR3E A5X5Y0 1/20 0.41
▸ HTR3B O95264 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ HTR3D Q70Z44 1/20 0.41
▸ HTR3C Q8WXA8 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KCNJ6 P48051 1/20 0.35
▸ KCNJ5 P48544 1/20 0.35
▸ KCNJ3 P48549 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL11654445 0.88 KMT2A (0.49) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL11658191 0.88 KMT2A (0.65) KMT2AHTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL11661831 0.86 KMT2A (0.63) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL11658283 0.81 KMT2A (0.49) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL11653881 0.81 KMT2A (0.45) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL11658757 0.81 KMT2A (0.42) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL11655245 0.80 KMT2A (0.44) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL11655212 0.79 SMN1; SMN2 (0.41) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL11655156 0.79 ALDH1A1 (0.45) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL11656623 0.78 KMT2A (0.42) KMT2AALDH1A1KDM4EMEN1MAPT

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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