SCHEMBL28487664

SCHEMBL28487664

N=C(NCc1ccc(Cl)c(Cl)c1)NC(=N)N1CCC(F)(F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.45
▸ TSHR P16473 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TAOK1 Q7L7X3 2/20 0.40
▸ TAOK3 Q9H2K8 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ CSNK1E P49674 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ AKT2 P31751 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
Hydrochloric Acid SCHEMBL18191032 0.99 HRH3 (0.44) HRH3TSHRSMN1; SMN2TAOK1TAOK3
SCHEMBL18197821 0.93 HRH3 (0.43) HRH3TSHRSMN1; SMN2TAOK1TAOK3
SCHEMBL14703141 0.86 EPHX2 (0.48) HRH3TSHRSMN1; SMN2TAOK1TAOK3
SCHEMBL14703147 0.85 EPHX2 (0.47) HRH3TSHRSMN1; SMN2TAOK1TAOK3
SCHEMBL20023235 0.85 SCN3A (0.37) LMNAEPHX2TRPV1
SCHEMBL23935877 0.85 METAP2 (0.42) LMNAPOLBMEN1KMT2AP2RX7
SCHEMBL18191042 0.81 TGM2 (0.38) SMN1; SMN2LMNA
SCHEMBL23935916 0.80 METAP2 (0.42) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL18190981 0.80 MTOR (0.39) SMN1; SMN2POLBMEN1KMT2A
SCHEMBL28487662 0.79 HRH3 (0.46) HRH3TSHRSMN1; SMN2TAOK1TAOK3

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
CN-107635963-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2020-11-20 — — CN claimed
CN-107635963-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2020-11-20 — — CN disclosed
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