SCHEMBL22924659

SCHEMBL22924659

CN1CCN(c2nc(Cl)nc(N3CCN(c4nc(Cl)nc(N5CCN(c6nc(Cl)nc(N7CCN(c8nc(Cl)nc(N9CCN(C)CC9)n8)CC7)n6)CC5)n4)CC3)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.55
▸ HRH4 Q9H3N8 6/20 0.50
▸ HTR6 P50406 2/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.50
▸ HTR3A P46098 1/20 0.46

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
SCHEMBL12903094 0.95 KMT2A (0.55) KMT2AHRH4HTR6HRH3HTR3A
SCHEMBL22603853 0.90 HRH4 (0.61) KMT2AHRH4HTR6HRH3HTR3A
SCHEMBL22661439 0.90 HRH4 (0.61) KMT2AHRH4HTR6HRH3HTR3A
SCHEMBL22661442 0.90 HRH4 (0.61) KMT2AHRH4HTR6HRH3HTR3A
SCHEMBL1310780 0.89 MAPT (0.60) KMT2AHRH4HTR6HRH3
SCHEMBL27082996 0.88 HRH4 (0.59) KMT2AHRH4HTR6HRH3HTR3A
SCHEMBL17581165 0.86 HRH4 (0.66) KMT2AHRH4HTR6HRH3
SCHEMBL2240205 0.83 HTR1A (0.50) KMT2AHRH4HTR3A
SCHEMBL10294567 0.83 HRH4 (0.66) KMT2AHRH4HTR6
SCHEMBL9418612 0.83 SORD (0.49) KMT2A

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-11130900-B2 Method for improving cement toughness SAUDI ARABIAN OIL COMPANY (SA) 2021-09-28 — — US disclosed
US-20210024806-A1 METHOD FOR IMPROVING CEMENT TOUGHNESS ARAMCO SERVICES COMPANY 2021-01-28 — — US disclosed
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