Sugi Predict

Sugi Predict / Compounds / SCHEMBL9770490

SCHEMBL9770490

SCHEMBL9770490

Cc1cnc2c(c1)CCCC2Sc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 4/20 0.38
▸ TYMS P04818 1/20 0.35
▸ DDB1 Q16531 3/20 0.35
▸ CRBN Q96SW2 3/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ CYP1A2 P05177 1/20 0.31
▸ KDM4C Q9H3R0 2/20 0.31
▸ PDE10A Q9Y233 1/20 0.31

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
SCHEMBL9770476 0.77 HTR6 (0.40) CXCR4DDB1CRBNCYP2D6HTR6
Hydrochloric Acid SCHEMBL9770615 0.76 HTR6 (0.39) CXCR4DDB1CRBNCYP2D6HTR6
SCHEMBL9810195 0.74 DDB1 (0.40) CXCR4DDB1CRBNCYP2D6HTR6
Hydrochloric Acid SCHEMBL10569209 0.73 CXCR4 (0.40) CXCR4DDB1CRBNCYP2D6HTR6
SCHEMBL10839938 0.73 CYP11B2 (0.34) CXCR4CYP2D6
SCHEMBL8782954 0.73 CXCR4 (0.38) CXCR4CYP2D6CYP1A2
SCHEMBL8784434 0.72 DDB1 (0.36) TYMSDDB1CRBNHTR6CYP1A2
SCHEMBL9770594 0.72 MCL1 (0.44) CXCR4CRBNCYP2D6
SCHEMBL9770619 0.72 CXCR4 (0.38) CXCR4CYP2D6CYP1A2
Hydrochloric Acid SCHEMBL11460070 0.72 CYP11B2 (0.34) CXCR4CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5001131-A Pyridine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1991-03-19 — — US disclosed