SCHEMBL31398577

SCHEMBL31398577

CC(C)Oc1nc(Cl)nc(N(C)c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
MAPT P10636 3/20 0.37
EGFR P00533 1/20 0.37
PDGFRB P09619 1/20 0.37

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
SCHEMBL32688167 0.83 ALDH1A1 (0.47) ALDH1A1TDP1MAPTEGFRPDGFRB
SCHEMBL8795437 0.81 ALDH1A1 (0.40) ALDH1A1TDP1MAPTL3MBTL1TSHR
SCHEMBL31398581 0.81 ALDH1A1 (0.45) ALDH1A1TDP1MAPTEGFRPDGFRB
SCHEMBL8973771 0.81 ALDH1A1 (0.59) ALDH1A1TDP1MAPTEGFRPDGFRB
SCHEMBL796429 0.81 ALDH1A1 (0.64) ALDH1A1TDP1MAPTEGFRPDGFRB
SCHEMBL31398576 0.76 CYP1A2 (0.33) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL31398570 0.73 GAA (0.51) ALDH1A1TDP1MAPTTSHRMAPK1
SCHEMBL31398572 0.73 MAPT (0.47) ALDH1A1TDP1MAPTEGFRPDGFRB
SCHEMBL795537 0.73 ALDH1A1 (0.50) ALDH1A1TDP1MAPTL3MBTL1CYP1A2
SCHEMBL8974883 0.71 TSHR (0.53) ALDH1A1EGFRL3MBTL1CYP1A2CYP3A4

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
WO-2025040698-A1 AZIDO-SUBSTITUTED HETEROAROMATIC ADDITIVES FOR PREPARING RECYCLABLE POLYMER COMPOSITIONS AND FOR UPCYCLING PLASTICS WASTES PARIS SCIENCES ET LETTRES (FR) 2025-02-27 WO disclosed