SCHEMBL6743229

SCHEMBL6743229

C=CCN(C(N)=S)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
CYP1A2 P05177 1/20 0.45
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ESR1 P03372 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
CCR6 P51684 1/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL9440432 0.85 CYP1A2 (0.47) ALDH1A1CYP1A2TSHRMEN1KMT2A
SCHEMBL11305548 0.83 TSHR (0.48) ALDH1A1CYP1A2TSHRMEN1KMT2A
SCHEMBL8611431 0.82 ADRA2A (0.36) ALDH1A1CYP1A2TSHRESR1SMN1; SMN2
SCHEMBL327647 0.81 TSHR (0.50) ALDH1A1TSHRMEN1KMT2AESR1
Zinc Ion SCHEMBL2164386 0.80 CYP1A2 (0.44) ALDH1A1CYP1A2TSHRMEN1KMT2A
SCHEMBL5933100 0.78 TSHR (0.50) ALDH1A1CYP1A2TSHRMEN1KMT2A
SCHEMBL946547 0.77 TSHR (0.53) ALDH1A1TSHRMEN1KMT2AESR1
SCHEMBL10619595 0.77 ALDH1A1 (0.57) ALDH1A1TSHRMEN1KMT2AESR1
SCHEMBL27552754 0.76 ALDH1A1 (0.56) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL6684848 0.76 TSHR (0.40) ALDH1A1CYP1A2TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259975-A1 System and method for forming photobleachable ink compositions ROBILLARD, JEAN J. (MX) 2004-12-23 US claimed