SCHEMBL23169604

SCHEMBL23169604

CN(C)C(=O)c1ccccc1-c1ccc(F)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
SLC6A4 P31645 2/20 0.61
SLC6A3 Q01959 2/20 0.61
TUBB4A P04350 3/20 0.53
TUBB P07437 3/20 0.53
TUBA3C P0DPH7 3/20 0.53
TUBA1B P68363 3/20 0.53
TUBA4A P68366 3/20 0.53
TUBB4B P68371 3/20 0.53
TUBB3 Q13509 3/20 0.53
TUBB2A Q13885 3/20 0.53
TUBB8 Q3ZCM7 3/20 0.53
TUBA3E Q6PEY2 3/20 0.53
TUBA1A Q71U36 3/20 0.53
TUBA1C Q9BQE3 3/20 0.53
TUBB6 Q9BUF5 3/20 0.53
TUBB2B Q9BVA1 3/20 0.53
TUBB1 Q9H4B7 3/20 0.53

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
SCHEMBL30892695 1.00 MEN1 (0.74) MEN1KMT2ASMN1; SMN2SLC6A4SLC6A3
SCHEMBL23169606 0.88 SLC6A4 (0.59) MEN1KMT2ASMN1; SMN2SLC6A4SLC6A3
SCHEMBL30463435 0.85 MEN1 (1.00) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
SCHEMBL6677412 0.85 MEN1 (1.00) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
Hydrochloric Acid SCHEMBL20578422 0.84 MEN1 (0.96) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
SCHEMBL28103799 0.83 SLC6A4 (0.57) MEN1KMT2ASMN1; SMN2SLC6A4SLC6A3
SCHEMBL14052483 0.82 SLC6A4 (0.56) MEN1KMT2ASMN1; SMN2SLC6A4SLC6A3
SCHEMBL29466501 0.80 SLC6A3 (0.67) MEN1KMT2ASMN1; SMN2SLC6A4SLC6A3
SCHEMBL3905291 0.80 SLC6A3 (0.67) MEN1KMT2ASMN1; SMN2SLC6A4SLC6A3
SCHEMBL19567211 0.80 MEN1 (0.70) MEN1KMT2ASMN1; SMN2SLC6A4SLC6A3

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-2021061929-A1 BICYCLIC CARBOXYLATES AS MODULATORS OF TRANSPORTERS AND USES THEREOF Nirogy Therapeutics, Inc. (US) 2021-04-01 WO disclosed