SCHEMBL9835270

SCHEMBL9835270

C#CCOCN(CC)CC

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.30

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
SCHEMBL27669945 0.84 MEN1 (0.57) ALDH1A1MEN1KMT2ATSHR
SCHEMBL346186 0.78 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACYP2C9HPGD
SCHEMBL5322174 0.76 MEN1 (0.50) ALDH1A1MEN1KMT2ACYP2C9TSHR
SCHEMBL9835059 0.74
SCHEMBL347612 0.69 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACYP2C9HPGD
SCHEMBL2498447 0.69
SCHEMBL352734 0.69
SCHEMBL27543707 0.69 TSHR (0.41) ALDH1A1MEN1KMT2AHSD17B10TSHR
SCHEMBL39635 0.67
SCHEMBL27741471 0.67 TSHR (0.42) ALDH1A1MEN1KMT2AHSD17B10TSHR

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
EP-0362695-B1 PYRROLOCARBAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS GÖDECKE AKTIENGESELLSCHAFT (DE) 1991-04-03 EP claimed