SCHEMBL31030201

SCHEMBL31030201

CS(=O)(=O)c1ncc(C(=O)NCCNC(=O)COCC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.39
VDR P11473 3/20 0.39
THRB P10828 7/20 0.38
MITF O75030 1/20 0.37
PAX8 Q06710 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
VCAM1 P19320 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL31030181 0.83 SMN1; SMN2 (0.39) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL31030173 0.76 CA12 (0.44) THRAVDRTHRBMAPTVCAM1
SCHEMBL31469012 0.75 THRA (0.31) THRAVDRTHRB
SCHEMBL31030183 0.74 TSHR (0.46) MAPTVCAM1
SCHEMBL31030198 0.73 MAPT (0.36) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL18158924 0.67 MAPT (0.38) MITFNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9251220 0.66 JAK2 (0.42) THRAVDRNPC1RAB9AMAPT
SCHEMBL24257931 0.65 SMN1; SMN2 (0.47) NPC1SMN1; SMN2KMT2A
SCHEMBL27415994 0.63 EPHX2 (0.42)
SCHEMBL27292565 0.62 MEN1 (0.41) NPC1RAB9AMAPTSMN1; SMN2KMT2A

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
EP-4651907-A1 DRUG CONJUGATES AND METHODS OF PREPARING AND USING THE SAME Adcentrx Therapeutics Inc. (US) 2025-11-26 EP disclosed
WO-2024155761-A1 DRUG CONJUGATES AND METHODS OF PREPARING AND USING THE SAME ADCENTRX THERAPEUTICS INC. (US) 2024-07-25 WO disclosed