SCHEMBL9374682

SCHEMBL9374682

CCC(C(=O)O)c1nn(NC(C)=S)c(=O)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALOX15 P16050 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ POLB P06746 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 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
SCHEMBL9374679 0.85 MEN1 (0.39) KMT2AMEN1LMNASMN1; SMN2ALOX15
SCHEMBL9374161 0.72 ALOX15 (0.43) KMT2AMEN1LMNASMN1; SMN2ALOX15
SCHEMBL9530036 0.66 POLB (0.67) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL13721336 0.65 KDM4E (0.49) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL4983840 0.65 HIF1A (0.42) LMNASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL29868109 0.62 KDM4E (0.48) SMN1; SMN2KDM4EPOLBALDH1A1TSHR
SCHEMBL30796028 0.60 RIPK1 (0.44) KMT2AMEN1LMNAALOX15MAPT
SCHEMBL9529817 0.60 SMN1; SMN2 (0.50) KMT2AMEN1LMNASMN1; SMN2ALOX15
SCHEMBL65737 0.59 LMNA (0.59) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL20769804 0.59 LMNA (0.59) KMT2AMEN1LMNASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0397350-B1 Process and intermediates for the preparation of oxophthalazinyl acetic acids and analogs thereof PFIZER (US) 1994-04-06 — — EP disclosed
US-5182391-A Process and intermediates for the preparation of oxophthalazinyl acetic acids and analogs thereof PFIZER INC. (US) 1993-01-26 — — US disclosed
US-5171862-A Process and indazole intermediates for the preparation of oxophthalazinyl acetic acids and analogs thereof PFIZER INC. (US) 1992-12-15 — — US disclosed
US-5075442-A Process and intermediates for the preparation of oxophthalazinyl acetic acids and analogs thereof PFIZER INC. (US) 1991-12-24 — — US disclosed
EP-0397350-A1 Process and intermediates for the preparation of oxophthalazinyl acetic acids and analogs thereof PFIZER INC. (US) 1990-11-14 — — EP disclosed
US-4954629-A Process and intermediates for the preparation of oxophthalazinyl acetic acids and analogs thereof PFIZER INC. (US) 1990-09-04 — — US disclosed
Send feedback