SCHEMBL11182832

SCHEMBL11182832

Cc1ccc(NC(=O)NCCN2CCN=C2CNc2ccccc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ TP53 P04637 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CNR1 P21554 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PTGER3 P43115 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ CASR P41180 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL11187742 0.92 CNR1 (0.49) KDM4EALDH1A1TP53MAPTSMN1; SMN2
SCHEMBL11185202 0.90 KDM4E (0.53) KDM4EALDH1A1TP53MAPTSMN1; SMN2
SCHEMBL11182289 0.87 KDM4E (0.56) KDM4EALDH1A1TP53SMN1; SMN2TSHR
SCHEMBL11193299 0.86 KDM4E (0.55) KDM4EALDH1A1TP53MAPTSMN1; SMN2
Maleic Acid SCHEMBL11184890 0.85 KDM4E (0.48) KDM4EALDH1A1TP53MAPTSMN1; SMN2
Fumaric Acid SCHEMBL11184896 0.85 KDM4E (0.48) KDM4EALDH1A1TP53MAPTSMN1; SMN2
SCHEMBL11186543 0.83 ALDH1A1 (0.54) KDM4EALDH1A1TP53MAPTSMN1; SMN2
SCHEMBL11190927 0.82 TSHR (0.49) KDM4EALDH1A1MAPTCNR1TSHR
SCHEMBL11183958 0.82 KDR (0.53) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL3028528 0.81 KDM4E (0.55) KDM4EALDH1A1TP53MAPTSMN1; SMN2

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-4420619-A Imidazole urea and amido compounds CIBA-GEIGY CORPORATION (US) 1983-12-13 — — US disclosed
US-4292429-A Imidazole urea and amido compounds CIBA-GEIGY CORPORATION (US) 1981-09-29 — — US disclosed
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