SCHEMBL11560486

SCHEMBL11560486

[CH2]c1sccc1OC(=O)CCl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.36
TOP2A P11388 2/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34

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
SCHEMBL6691255 0.70 TOP2A (0.45) GSK3BTOP2AKMT2AMEN1TUBB4A
SCHEMBL11556226 0.66 KMT2A (0.44) KMT2AMEN1ALDH1A1MAPTCASP3
SCHEMBL11223702 0.66 ALDH1A1 (0.42) GSK3BTOP2AKMT2AMEN1TUBB4A
SCHEMBL11688470 0.66 PKM (0.38) GSK3BKMT2AMEN1ALDH1A1MAPT
SCHEMBL4095285 0.65 KMT2A (0.52) KMT2AMEN1ALDH1A1MAPTCASP3
SCHEMBL10917837 0.64 MTNR1A (0.38) GSK3BTOP2AKMT2AMEN1TUBB4A
SCHEMBL28189795 0.64 MEN1 (0.50) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL4644681 0.64 GAA (0.50) KMT2AALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL9035702 0.63
SCHEMBL9792720 0.63 KMT2A (0.45) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4165316-A Process for preparing sulfinyl chlorides from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1979-08-21 US disclosed
US-4165315-A CHLORINATION WITH AN N-CHLORO HALOGENATING AGENT ELI LILLY AND COMPANY (US) 1979-08-21 US disclosed
US-4081440-A Sulfinyl halides and their preparation from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-03-28 US disclosed
US-4075203-A Process for preparing a 3-exomethylenecepham sulfoxide from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-02-21 US disclosed