SCHEMBL7903110

SCHEMBL7903110

O=S(=O)(c1cccc2ccccc12)N1CC2C(C1)C2N=C=S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 1/20 0.47
CNR1 P21554 7/20 0.46
MAPT P10636 2/20 0.42
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
EPHX2 P34913 1/20 0.41
TP53 P04637 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL7904419 0.82 PAX8 (0.40) TSHREPHX2HDAC1
SCHEMBL7903086 0.78 CYP2C9 (0.44) MEN1KMT2ATP53
SCHEMBL7906423 0.78 CYP2C9 (0.44) MEN1KMT2ATP53
SCHEMBL8564336 0.72 MEN1 (0.83) MEN1KMT2ATSHRCNR1MAPT
SCHEMBL13668459 0.71 MEN1 (0.57) MEN1KMT2ATSHRCNR1MAPT
SCHEMBL13672074 0.71 MEN1 (0.57) MEN1KMT2ATSHRCNR1MAPT
SCHEMBL4270677 0.71 MEN1 (0.57) MEN1KMT2ATSHRCNR1MAPT
SCHEMBL7904572 0.70 PKM (0.47) MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL7216688 0.70 KMT2A (0.97) MEN1KMT2ATSHRCNR1MAPT
SCHEMBL1063351 0.68 KMT2A (1.00) MEN1KMT2ATSHRCNR1MAPT

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-6194438-B1 ANTITUMOR AGENTS; ANTICANCER AGENTS; FARNESYL-PROTEIN TRANSFERASE INHIBITOR PFIZER INC. 2001-02-27 US disclosed
EP-1006113-A1 Derivatives of 2-(2-oxo-ethylidene)-imidazolidin-4-one and their use to inhibit abnormal cell growth Pfizer Products Inc. (US) 2000-06-07 EP disclosed