SCHEMBL11301480

SCHEMBL11301480

[C-]#[N+]c1ccc(Cl)c(C)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9847446 0.82 CYP3A4 (0.31)
SCHEMBL2741068 0.78
SCHEMBL8436824 0.78 CYP3A4 (0.40)
SCHEMBL9624552 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL29955661 0.73 ALDH1A1 (0.46) ALDH1A1
SCHEMBL7113773 0.73 CYP3A4 (0.32) ALDH1A1
SCHEMBL900037 0.72 ALDH1A1 (0.42) ALDH1A1
SCHEMBL7124314 0.68 NOTUM (0.52)
SCHEMBL7120736 0.68 CYP3A4 (0.38) ALDH1A1
SCHEMBL12887731 0.68 CYP1A2 (0.35) ALDH1A1

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-4347377-A Process for the preparation of polyhalogenphenyl carbamates CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1982-08-31 US disclosed
US-3950539-A Substituted diaminoguanidines HOECHST AKTIENGESELLSCHAFT (DT) 1976-04-13 US disclosed